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5-Butyl-2-phenyl-2-(phenylthio)penta-3,4-dienal

View entire compound with spectra: 1 MS (GC)

5-Butyl-2-phenyl-2-(phenylthio)penta-3,4-dienal
SpectraBase Compound ID 5m5M67SXpM
InChI InChI=1S/C21H22OS/c1-2-3-4-5-12-17-21(18-22,19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h5-11,13-18H,2-4H2,1H3
InChIKey IKZDQTMWZNIPON-UHFFFAOYSA-N
Mol Weight 322.47 g/mol
Molecular Formula C21H22OS
Exact Mass 322.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnqE14XxXLH
Name 5-Butyl-2-phenyl-2-(phenylthio)penta-3,4-dienal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22OS
InChI InChI=1S/C21H22OS/c1-2-3-4-5-12-17-21(18-22,19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h5-11,13-18H,2-4H2,1H3
InChIKey IKZDQTMWZNIPON-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070205d
Molecular Weight 322.466 g/mol
SMILES C(C=C=CCCCC)(c1ccccc1)(Sc1ccccc1)C=O
SPLASH splash10-0aor-1920000000-50bc768907ac43af3681
Source of Spectrum A1-9-1445/SMS3-1i
Synonyms 2-Phenyl-2-(phenylthio)nona-3,4-dienal
Wiley ID 1758017