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Benzoic acid, 3-(1-methylethyl)-
SpectraBase Compound ID F7gUPXduYbk
InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey DLYVSJDCQZVKMD-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWdcWWOsJbp
Name Benzoic acid, 3-(1-methylethyl)-
Alternate Name(s) 3-Isopropylbenzoic acid 3-Propan-2-ylbenzoic acid
CAS Registry Number 5651-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey DLYVSJDCQZVKMD-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES OC(c1cc(C(C)C)ccc1)=O
SPLASH splash10-0zi1-9800000000-687ebdb2e131338a8448
Source of Spectrum O-10-7-3
Wiley ID 1160190