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3-(p-tolylsulfonylmethyl)pent-4-en-2-ol
SpectraBase Compound ID 4vOan2LJFST
InChI InChI=1S/C13H18O3S/c1-4-12(11(3)14)9-17(15,16)13-7-5-10(2)6-8-13/h4-8,11-12,14H,1,9H2,2-3H3
InChIKey ZJRYJFCVUPAHAG-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEQF3qI2xdm
Name 3-(p-tolylsulfonylmethyl)pent-4-en-2-ol
CAS Registry Number 129665-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-4-12(11(3)14)9-17(15,16)13-7-5-10(2)6-8-13/h4-8,11-12,14H,1,9H2,2-3H3
InChIKey ZJRYJFCVUPAHAG-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OC(C(CS(c1ccc(cc1)C)(=O)=O)C=C)C
SPLASH splash10-0006-9300000000-1f273f0f54911cce85db
Source of Spectrum F-46-3999-6
Synonyms 3-(tosylmethyl)pent-4-en-2-ol 3-[(4-methylphenyl)sulfonylmethyl]pent-4-en-2-ol
Wiley ID 1257479