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2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate
SpectraBase Compound ID 6dJ7UZppxUB
InChI InChI=1S/C18H16O4S/c1-15-9-11-17(12-10-15)23(20,21)14-6-5-13-22-18(19)16-7-3-2-4-8-16/h2-5,7-12,14H,13H2,1H3
InChIKey JKAQDNQEDCEUIK-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uOlViDevF7
Name 2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate
Alternate Name(s) 4-(Phenylcarboxy)-1-(p-tolylsulfonyl)buta-1,2-diene 4-[(4-methylphenyl)sulfonyl]-2,3-butadienyl benzoate
CAS Registry Number 112389-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-15-9-11-17(12-10-15)23(20,21)14-6-5-13-22-18(19)16-7-3-2-4-8-16/h2-5,7-12,14H,13H2,1H3
InChIKey JKAQDNQEDCEUIK-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)=C=CCOC(=O)c1ccccc1
SPLASH splash10-0adl-6900000000-3f9af30bac38960cc9df
Source of Spectrum J-54-4152-1
Wiley ID 1326192