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3-(4-Methylphenyl)sulfonylhex-5-enoic acid
SpectraBase Compound ID JU8iteoI6jD
InChI InChI=1S/C13H16O4S/c1-3-4-12(9-13(14)15)18(16,17)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4,9H2,2H3,(H,14,15)
InChIKey SYOPCNNUJWGMDN-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 Gl3eJLAoHSO
Name 3-(4-Methylphenyl)sulfonylhex-5-enoic acid
Alternate Name(s) 3-(p-tolylsulfonyl)hex-5-enoic acid 3-Tosylhex-5-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-3-4-12(9-13(14)15)18(16,17)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4,9H2,2H3,(H,14,15)
InChIKey SYOPCNNUJWGMDN-UHFFFAOYSA-N
Molecular Weight 268.327 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)CC=C)=O
SPLASH splash10-00r6-9400000000-39e7385fc822e417c62b
Source of Spectrum J-59-3207-12
Wiley ID 1271831