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(Z)-6-methyl-2-(phenylseleno)-1-(p-toluenesulfonyl)-1,3-heptadiene
SpectraBase Compound ID 6up4QyXpEVD
InChI InChI=1S/C21H24O2SSe/c1-17(2)8-7-11-21(25-20-9-5-4-6-10-20)16-24(22,23)19-14-12-18(3)13-15-19/h4-7,9-17H,8H2,1-3H3/b11-7-,21-16-
InChIKey RRAWIPRCJUKYPM-NQYZPJGBSA-N
Mol Weight 419.45 g/mol
Molecular Formula C21H24O2SSe
Exact Mass 420.066223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jENhvy2NP
Name (Z)-6-methyl-2-(phenylseleno)-1-(p-toluenesulfonyl)-1,3-heptadiene
CAS Registry Number 127381-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O2SSe
InChI InChI=1S/C21H24O2SSe/c1-17(2)8-7-11-21(25-20-9-5-4-6-10-20)16-24(22,23)19-14-12-18(3)13-15-19/h4-7,9-17H,8H2,1-3H3/b11-7-,21-16-
InChIKey RRAWIPRCJUKYPM-NQYZPJGBSA-N
Molecular Weight 419.453 g/mol
SMILES c1([Se]\C(=C/S(c2ccc(cc2)C)(=O)=O)\C=C/CC(C)C)ccccc1
SPLASH splash10-0btc-5950200000-1c04294140c89458b020
Source of Spectrum J-55-4600-11
Synonyms 1-Methyl-4-{[(1Z,3Z)-6-methyl-2-(phenylselanyl)-1,3-heptadienyl]sulfonyl}benzene 4-Methylphenyl (1Z,3Z)-6-methyl-2-(phenylselanyl)-1,3-heptadienyl sulfone
Wiley ID 1377874