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(Z)-(4-Cyclopropyl-6-phenylhex-3-en-5-yn-1-yl) (p-tolyl) sulfide
SpectraBase Compound ID 6xKFH0wqaTH
InChI InChI=1S/C22H22S/c1-18-9-15-22(16-10-18)23-17-5-8-20(21-13-14-21)12-11-19-6-3-2-4-7-19/h2-4,6-10,15-16,21H,5,13-14,17H2,1H3/b20-8+
InChIKey VNLIPZIITUGHIX-DNTJNYDQSA-N
Mol Weight 318.48 g/mol
Molecular Formula C22H22S
Exact Mass 318.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6PxVw01Xm1
Name (Z)-(4-Cyclopropyl-6-phenylhex-3-en-5-yn-1-yl) (p-tolyl) sulfide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22S
InChI InChI=1S/C22H22S/c1-18-9-15-22(16-10-18)23-17-5-8-20(21-13-14-21)12-11-19-6-3-2-4-7-19/h2-4,6-10,15-16,21H,5,13-14,17H2,1H3/b20-8+
InChIKey VNLIPZIITUGHIX-DNTJNYDQSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200613
Molecular Weight 318.478 g/mol
Reported Formula C22H23S
SMILES C(\C(=C/CCSc1ccc(cc1)C)C1CC1)#Cc1ccccc1
SPLASH splash10-014l-9600000000-e9dbdc28854f6ef5bd5f
Source of Spectrum ASC-364-SM35-8
Thin-Layer Chromatography Rf = 0.28 (hexane/CH2Cl2, 20:1)
Wiley ID 1872956