| SpectraBase Spectrum ID |
tRzoHheghl |
| Name |
1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-methyl-, methyl ester, (.+-.)- |
| CAS Registry Number |
121103-70-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34N2O7 |
| InChI |
InChI=1S/C22H34N2O7/c1-13(25)12-22(6,7)17(24(28)29)11-16-14(2)15(9-10-18(26)30-8)19(23-16)20(27)31-21(3,4)5/h17,23H,9-12H2,1-8H3 |
| InChIKey |
UOSNHBPNKPNHPZ-UHFFFAOYSA-N |
| Molecular Weight |
438.521 g/mol |
| SMILES |
[nH]1c(c(c(c1CC(N(=O)=O)C(CC(=O)C)(C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O |
| SPLASH |
splash10-004r-0090400000-c7ccd2f592ac5c0c2db2 |
| Source of Spectrum |
KC-1989-276-67 |
| Synonyms |
t-butyl 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-3-(2-metoxy-carbonylethyl)-4-methylpyrrole-2-carboxylate
tert-butyl 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate |
| Wiley ID |
1384083 |
![1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-methyl-, methyl ester, (.+-.)-](/api/spectrum/tRzoHheghl/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-methyl-, methyl ester, (.+-.)-")
