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(E,E)-3,7-dimethyl-9-(phenylthio)nona-3,7-dienal
SpectraBase Compound ID UoXlRIt3Ok
InChI InChI=1S/C17H22OS/c1-15(11-13-18)7-6-8-16(2)12-14-19-17-9-4-3-5-10-17/h3-5,7,9-10,12-13H,6,8,11,14H2,1-2H3/b15-7+,16-12+
InChIKey PEYAEMTWYUJGNK-QGHKEMITSA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cz470iehOJ
Name (E,E)-3,7-dimethyl-9-(phenylthio)nona-3,7-dienal
CAS Registry Number 97634-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-15(11-13-18)7-6-8-16(2)12-14-19-17-9-4-3-5-10-17/h3-5,7,9-10,12-13H,6,8,11,14H2,1-2H3/b15-7+,16-12+
InChIKey PEYAEMTWYUJGNK-QGHKEMITSA-N
Molecular Weight 274.422 g/mol
SMILES C(\C=C\(CC=O)C)C\C(=C\CSc1ccccc1)C
SPLASH splash10-030s-9800000000-7b02963512c557a8d964
Source of Spectrum J-50-3772-6
Synonyms (3E,7E)-3,7-dimethyl-9-(phenylsulfanyl)-3,7-nonadienal
Wiley ID 1278382