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Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-chlorophenyl}-chromium
SpectraBase Compound ID 4JNjxxDJESG
InChI InChI=1S/C18H17ClS.3CO.Cr/c1-14(2)20-18(16-10-6-7-11-17(16)19)13-12-15-8-4-3-5-9-15;3*1-2;/h3-11,14,18H,1-2H3;;;;
InChIKey SDPRGPVTOPLWDC-UHFFFAOYSA-N
Mol Weight 436.873 g/mol
Molecular Formula C21H17ClCrO3S
Exact Mass 435.999198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4YJNmCP82i
Name Tricarbonyl-{1-[1'-(isopropylthio)-3'-phenylpropargyl]-2-chlorophenyl}-chromium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClCrO3S
InChI InChI=1S/C18H17ClS.3CO.Cr/c1-14(2)20-18(16-10-6-7-11-17(16)19)13-12-15-8-4-3-5-9-15;3*1-2;/h3-11,14,18H,1-2H3;;;;
InChIKey SDPRGPVTOPLWDC-UHFFFAOYSA-N
Molecular Weight 436.873 g/mol
SMILES [Cr].C(C(c1c(Cl)cccc1)SC(C)C)#Cc1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-0fmi-0094000000-f89ad4b12994daaa032a
Source of Spectrum C-123-3451-5o
Wiley ID 1700647