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4-Propylbenzoic acid
SpectraBase Compound ID IKnzvtTpRlg
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-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 PhuN2GIftd
Name Benzoic acid, 4-propyl-
CAS Registry Number 2438-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES OC(c1ccc(CCC)cc1)=O
SPLASH splash10-000i-3900000000-a73cdcb1f533289df373
Source of Spectrum NP-2-1379-0
Synonyms 4-Propylbenzoic acid 4-n-Propylbenzoic acid p-n-Propyl benzoic acid
Wiley ID 1100423