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Cyclohexenepropanoic acid, .alpha.-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID 9vfnEkHXHiP
InChI InChI=1S/C16H20O4S/c1-20-16(17)15(12-13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3
InChIKey PJQRPHNOUNVVOJ-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 120l1WGtKi
Name Cyclohexenepropanoic acid, .alpha.-(phenylsulfonyl)-, methyl ester
CAS Registry Number 74366-98-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-20-16(17)15(12-13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3
InChIKey PJQRPHNOUNVVOJ-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES COC(C(CC=1CCCCC1)S(c1ccccc1)(=O)=O)=O
SPLASH splash10-00mo-9400000000-be216afa8f3efcb6cbf7
Source of Spectrum C-100-3431-0
Synonyms Methyl 3-(1-cyclohexen-1-yl)-2-(phenylsulfonyl)propanoate 2-(benzenesulfonyl)-3-(1-cyclohexenyl)propanoic acid methyl ester 2-besyl-3-(cyclohexen-1-yl)propionic acid methyl ester Methyl 2-(benzenesulfonyl)-3-(cyclohexen-1-yl)propanoate Methyl 3-(cyclohexen-1-yl)-2-(phenylsulfonyl)propanoate
Wiley ID 1309630