| SpectraBase Spectrum ID |
HO31V5Ztnrr |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, methyl ester |
| CAS Registry Number |
62786-93-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H31BrN2O6 |
| InChI |
InChI=1S/C31H31BrN2O6/c1-19-23(14-15-26(35)38-3)29(31(37)40-18-22-12-8-5-9-13-22)33-24(19)16-25-27(32)20(2)28(34-25)30(36)39-17-21-10-6-4-7-11-21/h4-13,33-34H,14-18H2,1-3H3 |
| InChIKey |
FTZIGKAQYGEQHJ-UHFFFAOYSA-N |
| Molecular Weight |
607.501 g/mol |
| SMILES |
[nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)CCC(=O)OC)C)Br)C)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000002000-ec0c5c5098f526a8362e |
| Source of Spectrum |
KC-1976-2498-0 |
| Synonyms |
benzyl 5-{[5-[(benzyloxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl}-4-bromo-3-methyl-1H-pyrrole-2-carboxylate
Dibenzyl 3-bromo-4'-(2-methoxycarbonylethyl)-3',4-dimethyl-pyrromethane-5,5'-dicarboxylate |
| Wiley ID |
1410589 |
![1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, methyl ester](/api/spectrum/HO31V5Ztnrr/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, methyl ester")
