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(Q82281167)
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English
Carbamic acid, (4-ethynylphenyl)-, phenylmethyl ester
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
251.2805
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₃NO₂
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canonical SMILES
C#CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C16H13NO2/c1-2-13-8-10-15(11-9-13)17-16(18)19-12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H,17,18)
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InChIKey
BRAWZMUZHXVUBN-UHFFFAOYSA-N
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CAS Registry Number
371153-68-3
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PubChem CID
11184292
1 reference
matched by identifier from
InChIKey
InChIKey
BRAWZMUZHXVUBN-UHFFFAOYSA-N
UniChem compound ID
33623665
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00458042
1 reference
matched by identifier from
InChIKey
InChIKey
BRAWZMUZHXVUBN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60408861
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