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Cyclohexanebutyric acid

View entire compound with spectra: 5 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

Cyclohexanebutyric acid
SpectraBase Compound ID ACWgUUycYpR
InChI InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)
InChIKey UVZMNGNFERVGRC-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16OnzFtdrJq
Name Cyclohexanebutanoic acid
Alternate Name(s) 4-Cyclohexylbutanoic acid Cyclohexanebutyric acid 4-Cyclohexanebutyric acid 4-Cyclohexylbutyric acid AI3-12010 EINECS 224-665-3 NSC 2158 NSC 406925
CAS Registry Number 4441-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)
InChIKey UVZMNGNFERVGRC-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES OC(CCCC1CCCCC1)=O
SPLASH splash10-0btc-9200000000-45f71a04a913d6e4d1bc
Wiley ID 1472532