Tricarbonyl-{1-[1'-(1"-<methoxycarbonyl>-1"-methylethyl)-3'-phenylpropargyl]-2-methylphenyl}-chromium - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	4JvkW9cWDGg
InChI	InChI=1S/C21H22O2.3CO.Cr/c1-16-10-8-9-13-18(16)19(21(2,3)20(22)23-4)15-14-17-11-6-5-7-12-17;3*1-2;/h5-13,19H,1-4H3;;;;
InChIKey	BEULGUUUFYNQFX-UHFFFAOYSA-N Google Search
Mol Weight	442.431 g/mol
Molecular Formula	C24H22CrO5
Exact Mass	442.087229 g/mol

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SpectraBase Spectrum ID	1ilBGcuPouG
Name	Tricarbonyl-{1-[1'-(1"--1"-methylethyl)-3'-phenylpropargyl]-2-methylphenyl}-chromium
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H22CrO5
InChI	InChI=1S/C21H22O2.3CO.Cr/c1-16-10-8-9-13-18(16)19(21(2,3)20(22)23-4)15-14-17-11-6-5-7-12-17;3*1-2;/h5-13,19H,1-4H3;;;;
InChIKey	BEULGUUUFYNQFX-UHFFFAOYSA-N
Molecular Weight	442.431 g/mol
SMILES	[Cr].C(C(C(C(=O)OC)(C)C)c1c(C)cccc1)#Cc1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH	splash10-0a4i-1092000000-2f80f5f6cd65eb3116cb
Source of Spectrum	C-123-3450-5h
Wiley ID	1700653