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UMVOQQDNEYOJOK-UHFFFAOYSA-N
SpectraBase Compound ID JWIiwbgRtR6
InChI InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IowAPtzTs7h
Name Benzoic acid <3,5-dimethyl->
CAS Registry Number 499-06-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-N
Molecular Weight 150.177 g/mol
Number of Peaks 31
RI1 1381
RI2 1060
SMILES OC(c1cc(cc(c1)C)C)=O
SPLASH splash10-0zfr-4900000000-87b5fe41a68c34278ebc
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzoic acid, 3,5-dimethyl-
Wiley ID LM_FFNSC3_1016