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Benzoic acid, 4-(1-methylethyl)-, methyl ester
SpectraBase Compound ID LiLHtyizqBY
InChI InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3
InChIKey IPIVTJSCIHXKOE-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bct8VuEuGmd
Name Benzoic acid, 4-(1-methylethyl)-, methyl ester
CAS Registry Number 20185-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3
InChIKey IPIVTJSCIHXKOE-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES COC(=O)c1ccc(C(C)C)cc1
SPLASH splash10-0403-5900000000-38fc7e4d935a3a0a04eb
Source of Spectrum Va-0-0-0
Synonyms 4-isopropylbenzoic acid methyl ester 4-Isopropylmethyl benzenecarboxylate 4-Propan-2-ylbenzoic acid methyl ester Benzoic acid, p-isopropyl-, methyl ester Methyl 4-propan-2-ylbenzoate Methyl cumate Methyl cuminate Methyl p-isopropylbenzoate
Wiley ID 742118