(Q72435438)

English

3-Acetyl-1-methylpyrrole

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

123.068413908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₉NO

0 references

canonical SMILES

CC(=O)C1=CN(C=C1)C

0 references

found in taxon

Nicotiana tabacum

1 reference

stated in

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Identifiers

InChI

InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3

0 references

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

20209058

1 reference

matched by identifier from

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

DSSTox substance ID

DTXSID00335147

1 reference

matched by identifier from

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID50286236

0 references

EC number

627-516-4

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.155.870

retrieved

29 December 2019

title

1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one (English)

quotation

CAS no.: 932-62-7 (English)

ECHA Substance Infocard ID

100.155.870

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.155.870

retrieved

29 December 2019

title

1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one (English)

quotation

CAS no.: 932-62-7 (English)

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

(Q72435438)

3-Acetyl-1-methylpyrrole

Statements

Identifiers

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