For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
exo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine
SpectraBase Compound ID 4QTOJTCQNhe
InChI InChI=1S/C20H19N3O8/c1-2-29-20(24)18-16(12-8-14-15(31-10-30-14)9-13(12)22(25)26)19(23(27)28)17(21-18)11-6-4-3-5-7-11/h3-9,16-19,21H,2,10H2,1H3/t16-,17-,18-,19+/m0/s1
InChIKey BWQGETGFJBWJTR-CADBVGFASA-N
Mol Weight 429.39 g/mol
Molecular Formula C20H19N3O8
Exact Mass 429.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5A0Ct8DBlw
Name exo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine
Alternate Name(s) (2S,3S,4R,5S)-4-Nitro-3-(6-nitro-benzo[1,3]dioxol-5-yl)-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester endo-2-Ethoxycarbonyl-4-nitro-3-(6-nitro-1,3-benzodioxole-5-yl)-5-phenylpyrrolidine Ethyl 4-nitro-3-(6-nitro-1,3-benzodioxol-5-yl)-5-phenyl-2-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O8
InChI InChI=1S/C20H19N3O8/c1-2-29-20(24)18-16(12-8-14-15(31-10-30-14)9-13(12)22(25)26)19(23(27)28)17(21-18)11-6-4-3-5-7-11/h3-9,16-19,21H,2,10H2,1H3/t16-,17-,18-,19+/m0/s1
InChIKey BWQGETGFJBWJTR-CADBVGFASA-N
Molecular Weight 429.385 g/mol
SMILES N1[C@@]([C@@]([C@]([C@@]1(c1ccccc1)[H])(N(=O)=O)[H])(c1c(N(=O)=O)cc2c(c1)OCO2)[H])(C(=O)OCC)[H]
SPLASH splash10-090v-0793000000-adfcae26ed378ba051b3
Source of Spectrum F-51-13327-5
Wiley ID 794522