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(E)-1-phenyl-2-tosyl-2-pentene-1,4-diol
SpectraBase Compound ID DNDmP0KYdcP
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)17(12-14(2)19)18(20)15-6-4-3-5-7-15/h3-12,14,18-20H,1-2H3/b17-12+
InChIKey KRYLBSYWHKDNJX-SFQUDFHCSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRo3N1otmcu
Name (E)-1-phenyl-2-tosyl-2-pentene-1,4-diol
Alternate Name(s) (2E)-2-[(4-methylphenyl)sulfonyl]-1-phenyl-2-pentene-1,4-diol (E)-1-Phenyl-2-tosyl-2-phentene-1,4-diol
CAS Registry Number 118356-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)17(12-14(2)19)18(20)15-6-4-3-5-7-15/h3-12,14,18-20H,1-2H3/b17-12+
InChIKey KRYLBSYWHKDNJX-SFQUDFHCSA-N
Molecular Weight 332.414 g/mol
SMILES OC(\C=C/(C(c1ccccc1)O)S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-05nf-7900000000-eadfdf0366b34a33d8fa
Source of Spectrum J-54-1497-10
Wiley ID 1329325