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p-isopropylbenzoic acid
SpectraBase Compound ID 6NRSAlxbcTI
InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey CKMXAIVXVKGGFM-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 JHbsc5TPZtw
Name 4-Isopropylbenzoic acid
CAS Registry Number 536-66-3
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey CKMXAIVXVKGGFM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Quality 979
Retention Index 1331
SMILES OC(C=1C=CC(C(C)C)=CC1)=O
SPLASH splash10-0002-3900000000-85bd954f4c96bb4b6f14
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-(1-methylethyl)- 4-(1-Methylethyl)benzoic acid
Technique GC/MS
Wiley ID DD2024_025498