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1-Cycloheptanone-3-carboxylic acid
SpectraBase Compound ID 3ipWtMw7jjs
InChI InChI=1S/C8H12O3/c9-7-4-2-1-3-6(5-7)8(10)11/h6H,1-5H2,(H,10,11)
InChIKey WZVRSTGCESYYGK-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RnsC0xRu21
Name 1-Cycloheptanone-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c9-7-4-2-1-3-6(5-7)8(10)11/h6H,1-5H2,(H,10,11)
InChIKey WZVRSTGCESYYGK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19721050439
Molecular Weight 156.181 g/mol
SMILES OC(C1CC(CCCC1)=O)=O
SPLASH splash10-0a4i-6900000000-e29658deb5597cbb3a26
Source of Spectrum K-105-1462-4
Synonyms 3-Oxocycloheptane-1-carboxylic acid
Wiley ID 1794716