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Benzoic acid, 4-methyl-, 1-methylpropyl ester
SpectraBase Compound ID 7E8XCsV0Gy2
InChI InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey AYASXGIVXFMQBW-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2lTcOIZ0Wu
Name Benzoic acid, 4-methyl-, 1-methylpropyl ester
CAS Registry Number 100556-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey AYASXGIVXFMQBW-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES Cc1ccc(cc1)C(=O)OC(CC)C
SPLASH splash10-014r-9800000000-a54410ddb634aa3ca9d6
Synonyms Sec-butyl 4-methylbenzoate 4-Methylbenzoic acid butan-2-yl ester 4-Methylbenzoic acid sec-butyl ester Butan-2-yl 4-methylbenzoate p-Toluic acid, 2-butyl ester
Wiley ID 1494434