(Q63395874)

English

2,6-dimethylheptan-4-yl acetate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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186.161979944 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₂₂O₂

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canonical SMILES

CC(C)CC(CC(C)C)OC(=O)C

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Identifiers

InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3

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XLJDNKNPKUBQMX-UHFFFAOYSA-N

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CAS Registry Number

1 reference

XLJDNKNPKUBQMX-UHFFFAOYSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=10250-45-0

1 reference

matched by identifier from

XLJDNKNPKUBQMX-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XLJDNKNPKUBQMX-UHFFFAOYSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008552

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DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

XLJDNKNPKUBQMX-UHFFFAOYSA-N

DSSTOX compound identifier

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AICS Chemical ID (BEING DELETED)

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1 reference

matched by identifier from

XLJDNKNPKUBQMX-UHFFFAOYSA-N

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