| SpectraBase Spectrum ID |
D2ITdrzHXrl |
| Name |
1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-3-methyl-5-[[3-methyl-5-[(phenylmethoxy)carbonyl]-1 H-pyrrol-2-yl]methyl]-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 5-({5-[(benzyloxy)carbonyl]-3-methyl-1H-pyrrol-2-yl}methyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate
Dibenzyl 3-(2-chloroethyl)-3',4-dimethylpyrromethane-5,5'-dicarboxylate |
| CAS Registry Number |
62786-73-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H29ClN2O4 |
| InChI |
InChI=1S/C29H29ClN2O4/c1-19-15-26(28(33)35-17-21-9-5-3-6-10-21)31-24(19)16-25-23(13-14-30)20(2)27(32-25)29(34)36-18-22-11-7-4-8-12-22/h3-12,15,31-32H,13-14,16-18H2,1-2H3 |
| InChIKey |
HGSYYQROCQMTOI-UHFFFAOYSA-N |
| Molecular Weight |
505.014 g/mol |
| SMILES |
[nH]1c(c(c(c1Cc1c(cc([nH]1)C(OCc1ccccc1)=O)C)CCCl)C)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-906e4fa195f4ea319102 |
| Source of Spectrum |
KC-1976-2503-0 |
| Wiley ID |
1399589 |
![1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-3-methyl-5-[[3-methyl-5-[(phenylmethoxy)carbonyl]-1 H-pyrrol-2-yl]methyl]-, phenylmethyl ester](/api/spectrum/D2ITdrzHXrl/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-3-methyl-5-[[3-methyl-5-[(phenylmethoxy)carbonyl]-1 H-pyrrol-2-yl]methyl]-, phenylmethyl ester")
