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Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-methylphenyl}-chromium
SpectraBase Compound ID 8oh9W59vHlJ
InChI InChI=1S/C19H20S.3CO.Cr/c1-15(2)20-19(18-12-8-7-9-16(18)3)14-13-17-10-5-4-6-11-17;3*1-2;/h4-12,15,19H,1-3H3;;;;
InChIKey AFUZDNZWZPHQGC-UHFFFAOYSA-N
Mol Weight 416.455 g/mol
Molecular Formula C22H20CrO3S
Exact Mass 416.053821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KiA424Rr4t
Name Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-methylphenyl}-chromium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20CrO3S
InChI InChI=1S/C19H20S.3CO.Cr/c1-15(2)20-19(18-12-8-7-9-16(18)3)14-13-17-10-5-4-6-11-17;3*1-2;/h4-12,15,19H,1-3H3;;;;
InChIKey AFUZDNZWZPHQGC-UHFFFAOYSA-N
Molecular Weight 416.455 g/mol
SMILES [Cr].C(#Cc1ccccc1)C(c1c(C)cccc1)SC(C)C.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-0a4i-1094000000-a7073b77506ddd6c13e6
Source of Spectrum C-123-3449-5f
Wiley ID 1700655