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2-(7-ketocyclohepta-1,3,5-trien-1-yl)acetic acid ethyl ester
SpectraBase Compound ID DdHCk69I0rQ
InChI InChI=1S/C11H12O3/c1-2-14-11(13)8-9-6-4-3-5-7-10(9)12/h3-7H,2,8H2,1H3
InChIKey XZNWCCHSHKOBHC-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kibIuNLOK
Name 2-(7-ketocyclohepta-1,3,5-trien-1-yl)acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-2-14-11(13)8-9-6-4-3-5-7-10(9)12/h3-7H,2,8H2,1H3
InChIKey XZNWCCHSHKOBHC-UHFFFAOYSA-N
Molecular Weight 192.214 g/mol
SMILES C1(=O)C=CC=CC=C1CC(=O)OCC
SPLASH splash10-0007-7900000000-8fb6cee899a32676182a
Source of Spectrum SO-0-946-6
Synonyms 2-(7-oxo-1-cyclohepta-1,3,5-trienyl)acetic acid ethyl ester Ethyl 2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)ethanoate Ethyl 2-(7-oxocyclohepta-1,3,5-trien-1-yl)acetate
Wiley ID 1538043