12-[4-[(E)-styryl]phenyl]sulfanyldodecan-4-ol

SpectraBase Compound ID	CBEYcy9Z8IO
InChI	InChI=1S/C26H36OS/c1-2-12-25(27)15-10-5-3-4-6-11-22-28-26-20-18-24(19-21-26)17-16-23-13-8-7-9-14-23/h7-9,13-14,16-21,25,27H,2-6,10-12,15,22H2,1H3/b17-16+
InChIKey	VVLDHMCERNTBPU-WUKNDPDISA-N Google Search
Mol Weight	396.6 g/mol
Molecular Formula	C26H36OS
Exact Mass	396.248687 g/mol

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SpectraBase Spectrum ID	KTCJa0MLLue
Name	12-[4-[(E)-Styryl]phenyl]sulfanyldodecan-4-ol
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	396.248686952 u
Formula	C26H36OS
InChI	InChI=1S/C26H36OS/c1-2-12-25(27)15-10-5-3-4-6-11-22-28-26-20-18-24(19-21-26)17-16-23-13-8-7-9-14-23/h7-9,13-14,16-21,25,27H,2-6,10-12,15,22H2,1H3/b17-16+
InChIKey	VVLDHMCERNTBPU-WUKNDPDISA-N
Molecular Weight	396.633 g/mol
SMILES	C(CSC1=CC=C(\C=C\C=2C=CC=CC2)C=C1)CCCCCCC(CCC)O