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2-(p-tolylsulfonylmethyl)but-3-en-1-ol
SpectraBase Compound ID 1sPZ07Z8z8w
InChI InChI=1S/C12H16O3S/c1-3-11(8-13)9-16(14,15)12-6-4-10(2)5-7-12/h3-7,11,13H,1,8-9H2,2H3
InChIKey ZDXRREQOAJJHMD-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3woaV8BxCje
Name 2-(p-tolylsulfonylmethyl)but-3-en-1-ol
CAS Registry Number 129665-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-11(8-13)9-16(14,15)12-6-4-10(2)5-7-12/h3-7,11,13H,1,8-9H2,2H3
InChIKey ZDXRREQOAJJHMD-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES OCC(C=C)CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9410000000-ea04d20cf5bbf59c9051
Source of Spectrum F-46-3999-6
Synonyms 2-(tosylmethyl)but-3-en-1-ol 2-[(4-methylphenyl)sulfonylmethyl]but-3-en-1-ol
Wiley ID 1242627