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3,7-Dimethyl-3-(phenylthio)oct-6-en-1-al
SpectraBase Compound ID 3ibzpwoOYEe
InChI InChI=1S/C16H22OS/c1-14(2)8-7-11-16(3,12-13-17)18-15-9-5-4-6-10-15/h4-6,8-10,13H,7,11-12H2,1-3H3
InChIKey AJYSTYDCMPNDTG-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KB77TSorI
Name 3,7-Dimethyl-3-(phenylthio)oct-6-en-1-al
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-14(2)8-7-11-16(3,12-13-17)18-15-9-5-4-6-10-15/h4-6,8-10,13H,7,11-12H2,1-3H3
InChIKey AJYSTYDCMPNDTG-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C(Sc1ccccc1)(CC=O)(CCC=C(C)C)C
SPLASH splash10-00lr-9300000000-fec03ac1ef6a0d46d8b0
Source of Spectrum D9-20-94-3a
Synonyms 3,7-Dimethyl-3-(phenylthio)-6-octenal 3,7-Dimethyl-3-phenylsulfanyloct-6-enal 3,7-Dimethyl-3-phenylsulfanyl-oct-6-enal
Wiley ID 1695573