| SpectraBase Spectrum ID |
78fKDpfVWWk |
| Name |
1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[4-(2-hydroxyethyl)-3-methyl-5-[(phenylmethoxy)c arbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 5-{[5-[(benzyloxy)carbonyl]-4-(2-hydroxyethyl)-3-methyl-1H-pyrrol-2-yl]methyl}-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate
Hydroxyethylpyrromethane |
| CAS Registry Number |
87377-71-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H33ClN2O5 |
| InChI |
InChI=1S/C31H33ClN2O5/c1-20-25(14-16-35)29(31(37)39-19-23-11-7-4-8-12-23)33-26(20)17-27-24(13-15-32)21(2)28(34-27)30(36)38-18-22-9-5-3-6-10-22/h3-12,33-35H,13-19H2,1-2H3 |
| InChIKey |
PPNSNZXZFQIUPO-UHFFFAOYSA-N |
| Molecular Weight |
549.067 g/mol |
| SMILES |
[nH]1c(c(c(c1Cc1c(c(CCO)c([nH]1)C(OCc1ccccc1)=O)C)CCCl)C)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-ff92df205a87690f2282 |
| Source of Spectrum |
F-39-1855-0 |
| Wiley ID |
1405473 |
![1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[4-(2-hydroxyethyl)-3-methyl-5-[(phenylmethoxy)c arbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester](/api/spectrum/78fKDpfVWWk/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[4-(2-hydroxyethyl)-3-methyl-5-[(phenylmethoxy)c arbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester")
