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(1E,3E)-1-(Benzenesulfonyl)-2-butyl-3-(4-methoxyphenyl)octa-1,3-diene
SpectraBase Compound ID BWQkVHmZIu1
InChI InChI=1S/C25H32O3S/c1-4-6-9-15-25(21-16-18-23(28-3)19-17-21)22(12-7-5-2)20-29(26,27)24-13-10-8-11-14-24/h8,10-11,13-20H,4-7,9,12H2,1-3H3/b22-20+,25-15+
InChIKey QGVBLUQNPIRGLD-AYMHBSRVSA-N
Mol Weight 412.6 g/mol
Molecular Formula C25H32O3S
Exact Mass 412.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MIXUe7Nhes
Name (1E,3E)-1-(Benzenesulfonyl)-2-butyl-3-(4-methoxyphenyl)octa-1,3-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O3S
InChI InChI=1S/C25H32O3S/c1-4-6-9-15-25(21-16-18-23(28-3)19-17-21)22(12-7-5-2)20-29(26,27)24-13-10-8-11-14-24/h8,10-11,13-20H,4-7,9,12H2,1-3H3/b22-20+,25-15+
InChIKey QGVBLUQNPIRGLD-AYMHBSRVSA-N
Molecular Weight 412.588 g/mol
SMILES c1(\C(\C(=C\S(=O)(=O)c2ccccc2)CCCC)=C\CCCC)ccc(cc1)OC
SPLASH splash10-00fr-9410000000-336e5e822d26fce3c40a
Source of Spectrum U1-2012-834-5b
Synonyms 1-[(E,7E)-7-(benzenesulfonylmethylidene)undec-5-en-6-yl]-4-methoxybenzene 1-[(E)-1-[(1E)-1-(benzenesulfonylmethylene)pentyl]hex-1-enyl]-4-methoxy-benzene 1-Methoxy-4-[(E,7E)-7-(phenylsulfonylmethylidene)undec-5-en-6-yl]benzene
Wiley ID 1705453