Tricarbonyl-{1-[1'-(2"-<methoxycarbonyl>ethylthio)-2'-heptyn-1'-yl]-2-methoxyphenyl}-chromium - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	LwQ71321v19
InChI	InChI=1S/C18H24O3S.3CO.Cr/c1-4-5-6-7-12-17(22-14-13-18(19)21-3)15-10-8-9-11-16(15)20-2;3*1-2;/h8-11,17H,4-6,13-14H2,1-3H3;;;;
InChIKey	PPMWCHMBTUKQHM-UHFFFAOYSA-N Google Search
Mol Weight	456.473 g/mol
Molecular Formula	C21H24CrO6S
Exact Mass	456.069865 g/mol

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SpectraBase Spectrum ID	KT4NexeZ7he
Name	Tricarbonyl-{1-[1'-(2"-ethylthio)-2'-heptyn-1'-yl]-2-methoxyphenyl}-chromium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H24CrO6S
InChI	InChI=1S/C18H24O3S.3CO.Cr/c1-4-5-6-7-12-17(22-14-13-18(19)21-3)15-10-8-9-11-16(15)20-2;3*1-2;/h8-11,17H,4-6,13-14H2,1-3H3;;;;
InChIKey	PPMWCHMBTUKQHM-UHFFFAOYSA-N
Molecular Weight	456.473 g/mol
SMILES	[Cr].c1(C(C#CCCCC)SCCC(=O)OC)c(OC)cccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH	splash10-0udi-7090000000-555a625f2c85e1e9a011
Source of Spectrum	C-123-3452-5s
Wiley ID	1700644