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2,4-Cycloheptadiene-1-acetic acid
SpectraBase Compound ID LvUYOTQd3w8
InChI InChI=1S/C9H12O2/c10-9(11)7-8-5-3-1-2-4-6-8/h1-3,5,8H,4,6-7H2,(H,10,11)
InChIKey FDVAPKPTYMZGES-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiHUPzcJ7WJ
Name 2,4-Cycloheptadiene-1-acetic acid
CAS Registry Number 91550-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c10-9(11)7-8-5-3-1-2-4-6-8/h1-3,5,8H,4,6-7H2,(H,10,11)
InChIKey FDVAPKPTYMZGES-UHFFFAOYSA-N
Molecular Weight 152.193 g/mol
SMILES OC(=O)CC1C=CC=CCC1
SPLASH splash10-0006-9500000000-bf95f0f1469320fb2e7d
Source of Spectrum C-106-6072-0
Synonyms 2,4-cycloheptadien-1-ylacetic acid Cyclohepta-2,4-dienylacetic acid
Wiley ID 1149022