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Benzenesulfonic acid, 4-methyl-, heptyl ester
SpectraBase Compound ID Eshbh9zWGRk
InChI InChI=1S/C14H22O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChIKey BQPVBPLMUCJNOX-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C14H22O3S
Exact Mass 270.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0YU2RwOfM8
Name Benzenesulfonic acid, 4-methyl-, heptyl ester
CAS Registry Number 24767-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3S
InChI InChI=1S/C14H22O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChIKey BQPVBPLMUCJNOX-UHFFFAOYSA-N
Molecular Weight 270.387 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCCCC
SPLASH splash10-05fu-9300000000-69afd420dbecf4f5f8df
Synonyms Heptyl 4-methylbenzenesulfonate 1-Heptyl p-toluenesulfonate 4-Methylbenzenesulfonic acid heptyl ester Heptyl p-toluenesulfonate Heptyl p-tosylate p-Toluenesulfonic acid n-heptyl ester p-Toluenesulfonic acid, heptyl ester Toluene-4-sulfonic acid, heptyl ester
Wiley ID 1484737