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1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-.beta.,.beta.,3-trimethyl-.gamma.-nitro-, methyl ester, (.+-.)-
SpectraBase Compound ID 30DbZZh1m3e
InChI InChI=1S/C22H34N2O8/c1-13-14(9-10-17(25)30-7)19(20(27)32-21(2,3)4)23-15(13)11-16(24(28)29)22(5,6)12-18(26)31-8/h16,23H,9-12H2,1-8H3
InChIKey QUNKXVNGTYHAHF-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C22H34N2O8
Exact Mass 454.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9JcPgLsJwV
Name 1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-.beta.,.beta.,3-trimethyl-.gamma.-nitro-, methyl ester, (.+-.)-
CAS Registry Number 133585-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34N2O8
InChI InChI=1S/C22H34N2O8/c1-13-14(9-10-17(25)30-7)19(20(27)32-21(2,3)4)23-15(13)11-16(24(28)29)22(5,6)12-18(26)31-8/h16,23H,9-12H2,1-8H3
InChIKey QUNKXVNGTYHAHF-UHFFFAOYSA-N
Molecular Weight 454.520 g/mol
SMILES [nH]1c(c(c(c1CC(N(=O)=O)C(CC(=O)OC)(C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0fb9-0094100000-104eda3f9b46457d5fe4
Source of Spectrum AH-121-895-0
Synonyms (rac)-tert-butyl-3-(2-methoxycarbonylethyl)-4-methyl-5-(2-nitro-3,3-dimethyl-methoxycarbonylbutyl)-pyrrole-2-carboxylate tert-Butyl 5-(5-methoxy-3,3-dimethyl-2-nitro-5-oxopentyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1388709