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Tricarbonyl-{1-[1'-(4"-oxapiperidin-1"-yl)-3'-phenylpropargyl]-2-chlorophenyl}-chromium
SpectraBase Compound ID 5q7LEMtu1cX
InChI InChI=1S/C19H18ClNO.3CO.Cr/c20-18-9-5-4-8-17(18)19(21-12-14-22-15-13-21)11-10-16-6-2-1-3-7-16;3*1-2;/h1-9,19H,12-15H2;;;;
InChIKey QPGBOGCWBRGORN-UHFFFAOYSA-N
Mol Weight 447.838 g/mol
Molecular Formula C22H18ClCrNO4
Exact Mass 447.032941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E5scaG7AG0
Name Tricarbonyl-{1-[1'-(4"-oxapiperidin-1"-yl)-3'-phenylpropargyl]-2-chlorophenyl}-chromium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClCrNO4
InChI InChI=1S/C19H18ClNO.3CO.Cr/c20-18-9-5-4-8-17(18)19(21-12-14-22-15-13-21)11-10-16-6-2-1-3-7-16;3*1-2;/h1-9,19H,12-15H2;;;;
InChIKey QPGBOGCWBRGORN-UHFFFAOYSA-N
Molecular Weight 447.838 g/mol
SMILES [Cr].C(C(c1c(Cl)cccc1)N1CCOCC1)#Cc1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-002f-0983000000-3578ee13504b54217db5
Source of Spectrum C-123-3452-5q
Wiley ID 1700645