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3-Methylidene-2-(p-toluenesulfonyl)-1,4-hexadiene
SpectraBase Compound ID 6umDIvxaeCA
InChI InChI=1S/C14H16O2S/c1-5-6-12(3)13(4)17(15,16)14-9-7-11(2)8-10-14/h5-10H,3-4H2,1-2H3/b6-5-
InChIKey REXQXKWBDYODRO-WAYWQWQTSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GK10WlLuTG
Name 3-Methylidene-2-(p-toluenesulfonyl)-1,4-hexadiene
CAS Registry Number 127381-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-5-6-12(3)13(4)17(15,16)14-9-7-11(2)8-10-14/h5-10H,3-4H2,1-2H3/b6-5-
InChIKey REXQXKWBDYODRO-WAYWQWQTSA-N
Molecular Weight 248.340 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(\C=C/C)=C)=C
SPLASH splash10-000f-9800000000-7434945558da2b89281b
Source of Spectrum J-55-4601-5
Synonyms (3Z)-1,2-dimethylene-3-pentenyl 4-methylphenyl sulfone 1-{[(3Z)-1,2-dimethylene-3-pentenyl]sulfonyl}-4-methylbenzene
Wiley ID 1251016