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Methyl 3-methyl-2-(phenylsulfonyl)-4-pentenoate
SpectraBase Compound ID HOSvbgvGjYd
InChI InChI=1S/C13H16O4S/c1-4-10(2)12(13(14)17-3)18(15,16)11-8-6-5-7-9-11/h4-10,12H,1H2,2-3H3
InChIKey NYFMMZXQRRPREV-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lJorcfe1PI
Name Methyl 3-methyl-2-(phenylsulfonyl)-4-pentenoate
Alternate Name(s) 2-(benzenesulfonyl)-3-methyl-4-pentenoic acid methyl ester 2-besyl-3-methyl-pent-4-enoic acid methyl ester 4-Pentenoic acid, 3-methyl-2-(phenylsulfonyl)-, methyl ester Methyl 2-(benzenesulfonyl)-3-methyl-pent-4-enoate Methyl 3-methyl-2-(phenylsulfonyl)pent-4-enoate
CAS Registry Number 74866-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-4-10(2)12(13(14)17-3)18(15,16)11-8-6-5-7-9-11/h4-10,12H,1H2,2-3H3
InChIKey NYFMMZXQRRPREV-UHFFFAOYSA-N
Molecular Weight 268.327 g/mol
SMILES CC(C=C)C(C(=O)OC)S(c1ccccc1)(=O)=O
SPLASH splash10-056r-9100000000-ecebf4b3b22809bf41b7
Wiley ID 1495634