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Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-methoxyphenyl}-chromium
SpectraBase Compound ID F7d1veP4QU2
InChI InChI=1S/C19H20OS.3CO.Cr/c1-15(2)21-19(14-13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)20-3;3*1-2;/h4-12,15,19H,1-3H3;;;;
InChIKey SMPRQMNFRKUTFS-UHFFFAOYSA-N
Mol Weight 432.454 g/mol
Molecular Formula C22H20CrO4S
Exact Mass 432.048735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i6btzESh1P
Name Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-methoxyphenyl}-chromium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20CrO4S
InChI InChI=1S/C19H20OS.3CO.Cr/c1-15(2)21-19(14-13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)20-3;3*1-2;/h4-12,15,19H,1-3H3;;;;
InChIKey SMPRQMNFRKUTFS-UHFFFAOYSA-N
Molecular Weight 432.454 g/mol
SMILES [Cr].C(C(c1c(OC)cccc1)SC(C)C)#Cc1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-006t-1096000000-41ff81af974f2d18c241
Source of Spectrum C-123-3449-5a
Wiley ID 1700659