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6-Phenylthio-dodeca-2(Z or E),5(Z)-diene
SpectraBase Compound ID Bzj5AeFssv8
InChI InChI=1S/C18H26S/c1-3-5-7-10-14-17(13-9-6-4-2)19-18-15-11-8-12-16-18/h4,6,8,11-13,15-16H,3,5,7,9-10,14H2,1-2H3/b6-4+,17-13-
InChIKey MTDSESNCFZQVID-DSGQEPFBSA-N
Mol Weight 274.47 g/mol
Molecular Formula C18H26S
Exact Mass 274.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rDeWPyNtvY
Name 6-Phenylthio-dodeca-2(Z or E),5(Z)-diene
Alternate Name(s) (2E,5Z)-dodeca-2,5-dien-6-yl(phenyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26S
InChI InChI=1S/C18H26S/c1-3-5-7-10-14-17(13-9-6-4-2)19-18-15-11-8-12-16-18/h4,6,8,11-13,15-16H,3,5,7,9-10,14H2,1-2H3/b6-4+,17-13-
InChIKey MTDSESNCFZQVID-DSGQEPFBSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 274.466 g/mol
SMILES C(\C=C\(Sc1ccccc1)CCCCCC)\C=C\C
SPLASH splash10-055b-9220000000-8df8bdd8f473108fb700
Source of Spectrum A1-9-263/SMS9-6
Wiley ID 1757779