Debug Info

object
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BIvJiA5lxZW
spectrumID
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BIvJiA5lxZW
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2-Hexyl-1-phenylthiohexa- 1(Z),4-diene
SpectraBase Compound ID 5cO06dW0Pvv
InChI InChI=1S/C18H26S/c1-3-5-7-9-13-17(12-6-4-2)16-19-18-14-10-8-11-15-18/h4,6,8,10-11,14-16H,3,5,7,9,12-13H2,1-2H3/b6-4+,17-16+
InChIKey RMRACWJDGDBAGS-CMMFXGMJSA-N
Mol Weight 274.47 g/mol
Molecular Formula C18H26S
Exact Mass 274.175522 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIvJiA5lxZW
Name 2-Hexyl-1-phenylthiohexa- 1(Z),4-diene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26S
InChI InChI=1S/C18H26S/c1-3-5-7-9-13-17(12-6-4-2)16-19-18-14-10-8-11-15-18/h4,6,8,10-11,14-16H,3,5,7,9,12-13H2,1-2H3/b6-4+,17-16+
InChIKey RMRACWJDGDBAGS-CMMFXGMJSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 274.466 g/mol
SMILES C(\C(=C/Sc1ccccc1)CCCCCC)\C=C\C
SPLASH splash10-0aed-9230000000-e957bc4392e73abf22e5
Source of Spectrum A1-9-263/SMS9-7
Synonyms ((Z)-2-((E)-but-2-en-1-yl)oct-1-en-1-yl)(phenyl)sulfane
Wiley ID 1757780
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