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1-Pyrrolidinebutanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-.alpha.-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester, [S-(R*,R*)]-
SpectraBase Compound ID H65sE0KsBmh
InChI InChI=1S/C28H44N2O7/c1-26(2,3)19-16-18(35-10)17-20(27(4,5)6)23(19)36-24(31)22(30(33)34)13-15-29-14-11-12-21(29)25(32)37-28(7,8)9/h16-17,21-22H,11-15H2,1-10H3
InChIKey WRYRPAPYOPZECY-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C28H44N2O7
Exact Mass 520.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MKaSEwFnRu
Name 1-Pyrrolidinebutanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-.alpha.-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester, [S-(R*,R*)]-
CAS Registry Number 124201-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44N2O7
InChI InChI=1S/C28H44N2O7/c1-26(2,3)19-16-18(35-10)17-20(27(4,5)6)23(19)36-24(31)22(30(33)34)13-15-29-14-11-12-21(29)25(32)37-28(7,8)9/h16-17,21-22H,11-15H2,1-10H3
InChIKey WRYRPAPYOPZECY-UHFFFAOYSA-N
Molecular Weight 520.667 g/mol
SMILES CC(OC(C1CCCN1CCC(N(=O)=O)C(Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C)=O)=O)(C)C
SPLASH splash10-014r-9700400000-e45e81498998f5739f93
Synonyms 1-[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-3-nitro-butyl]pyrrolidine-2-carboxylic acid tert-butyl ester 1-[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester tert-Butyl 1-[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-3-nitro-4-oxidanylidene-butyl]pyrrolidine-2-carboxylate tert-Butyl 1-[4-(2,6-ditert-butyl-4-methoxy-phenoxy)-3-nitro-4-oxo-butyl]pyrrolidine-2-carboxylate tert-Butyl 1-[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]-2-pyrrolidinecarboxylate
Wiley ID 1485460