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1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-.beta.,.beta.-dimethyl-.gamma.-nitro-, methyl ester
SpectraBase Compound ID 1mLsjhN41wP
InChI InChI=1S/C24H36N2O10/c1-23(2,3)36-22(30)21-14(9-10-18(27)33-6)15(11-19(28)34-7)16(25-21)12-17(26(31)32)24(4,5)13-20(29)35-8/h17,25H,9-13H2,1-8H3
InChIKey IHIYPTXECUPULB-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C24H36N2O10
Exact Mass 512.236995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwV9XsZ6KZx
Name 1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-.beta.,.beta.-dimethyl-.gamma.-nitro-, methyl ester
CAS Registry Number 80053-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O10
InChI InChI=1S/C24H36N2O10/c1-23(2,3)36-22(30)21-14(9-10-18(27)33-6)15(11-19(28)34-7)16(25-21)12-17(26(31)32)24(4,5)13-20(29)35-8/h17,25H,9-13H2,1-8H3
InChIKey IHIYPTXECUPULB-UHFFFAOYSA-N
Molecular Weight 512.556 g/mol
SMILES [nH]1c(c(c(c1CC(N(=O)=O)C(CC(=O)OC)(C)C)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-0000910000-01f2956f8b3c867bacd8
Source of Spectrum KC-1987-1676-45
Synonyms Methyl 5-[4-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-5-t-butoxycarbonylpyrrol-2-yl]-3,3-dimethyl-4-nitropentanoate tert-Butyl 5-(5-methoxy-3,3-dimethyl-2-nitro-5-oxopentyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1400751