| SpectraBase Spectrum ID |
BxwyBMFf1iu |
| Name |
1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1,3,3-trimethyl-2-nitro-5-oxohexyl)-, methyl ester |
| CAS Registry Number |
121103-45-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38N2O9 |
| InChI |
InChI=1S/C25H38N2O9/c1-14(28)13-25(6,7)22(27(32)33)15(2)20-17(12-19(30)35-9)16(10-11-18(29)34-8)21(26-20)23(31)36-24(3,4)5/h15,22,26H,10-13H2,1-9H3 |
| InChIKey |
YVZHYEXMLPTKSJ-UHFFFAOYSA-N |
| Molecular Weight |
510.584 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)C(C(N(=O)=O)C(CC(=O)C)(C)C)C |
| SPLASH |
splash10-000i-0090000000-e2bf8283671425e1c034 |
| Source of Spectrum |
KC-1989-272-27 |
| Synonyms |
t-butyl 3-(2-methoxycarbonylethyl)-4-methoxycarbonyl-methyl-5-(1,3,3-trimethyl-2-nitro-5-oxohexyl)pyrrole-2-carboxylate
tert-butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-(1,3,3-trimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-2-carboxylate |
| Wiley ID |
1400464 |
![1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1,3,3-trimethyl-2-nitro-5-oxohexyl)-, methyl ester](/api/spectrum/BxwyBMFf1iu/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1,3,3-trimethyl-2-nitro-5-oxohexyl)-, methyl ester")
