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tert-Butyl ester of rac.(Z)-1,3,4,5-tetrahydro-3-methoxycarbonylmethyl-1,4,4,3',4'-pentamethyl-5-oxo-2,2'-pyrromethen-5'-carboxylic acid
SpectraBase Compound ID InVhomcsL1
InChI InChI=1S/C22H32N2O5/c1-12-13(2)18(19(26)29-21(3,4)5)23-15(12)11-16-14(10-17(25)28-9)22(6,7)20(27)24(16)8/h11,14,23H,10H2,1-9H3/b16-11-
InChIKey XBNUBAZQMGWOEV-WJDWOHSUSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9uFbQyNr4k
Name tert-Butyl ester of rac.(Z)-1,3,4,5-tetrahydro-3-methoxycarbonylmethyl-1,4,4,3',4'-pentamethyl-5-oxo-2,2'-pyrromethen-5'-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-12-13(2)18(19(26)29-21(3,4)5)23-15(12)11-16-14(10-17(25)28-9)22(6,7)20(27)24(16)8/h11,14,23H,10H2,1-9H3/b16-11-
InChIKey XBNUBAZQMGWOEV-WJDWOHSUSA-N
Molecular Weight 404.507 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)C)C)\C=C\1N(C(=O)C(C1CC(=O)OC)(C)C)C
SPLASH splash10-0002-0029200000-dfd5a101571cf1b2c731
Source of Spectrum AH-113-1341-0
Synonyms tert-Butyl ester of rac.(E)-1,3,4,5-tetrahydro-3-methoxycarbonylmethyl-1,4,4,3',4'-pentamethyl-5-oxo-2,2'-pyrromethen-5'-carboxylic acid tert-Butyl 5-{(Z)-[3-(2-methoxy-2-oxoethyl)-1,4,4-trimethyl-5-oxo-2-pyrrolidinylidene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1371305