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(E)-3-tosyl-2,5-hexadienal
SpectraBase Compound ID mVZ00pWPmD
InChI InChI=1S/C13H14O3S/c1-3-4-12(9-10-14)17(15,16)13-7-5-11(2)6-8-13/h3,5-10H,1,4H2,2H3/b12-9+
InChIKey VVSMNFJGTOWZMZ-FMIVXFBMSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35m3JKqL5mZ
Name (E)-3-tosyl-2,5-hexadienal
CAS Registry Number 118356-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-3-4-12(9-10-14)17(15,16)13-7-5-11(2)6-8-13/h3,5-10H,1,4H2,2H3/b12-9+
InChIKey VVSMNFJGTOWZMZ-FMIVXFBMSA-N
Molecular Weight 250.312 g/mol
SMILES C(\C=C/(S(c1ccc(cc1)C)(=O)=O)CC=C)=O
SPLASH splash10-014u-9100000000-4168fe928d1a89bbe1e1
Source of Spectrum J-54-1498-12
Synonyms (2E)-3-[(4-methylphenyl)sulfonyl]-2,5-hexadienal
Wiley ID 1253054