| SpectraBase Spectrum ID |
9qJHQUXZLe2 |
| Name |
1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(2-nitroethyl)-, methyl ester |
| CAS Registry Number |
80053-21-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26N2O8 |
| InChI |
InChI=1S/C18H26N2O8/c1-18(2,3)28-17(23)16-11(6-7-14(21)26-4)12(10-15(22)27-5)13(19-16)8-9-20(24)25/h19H,6-10H2,1-5H3 |
| InChIKey |
PQJRQIUUGDKJRD-UHFFFAOYSA-N |
| Molecular Weight |
398.412 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)CCN(=O)=O |
| SPLASH |
splash10-03dj-0094000000-759ca5f43497c77b9d8f |
| Source of Spectrum |
KC-1987-1676-44 |
| Synonyms |
t-Butyl 3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethyl-5-(2-nitroethyl)pyrrole-2-carboxylate
tert-Butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-(2-nitroethyl)-1H-pyrrole-2-carboxylate |
| Wiley ID |
1368220 |
![1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(2-nitroethyl)-, methyl ester](/api/spectrum/9qJHQUXZLe2/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(2-nitroethyl)-, methyl ester")
