| SpectraBase Spectrum ID |
5K3G4ApvPAf |
| Name |
1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester |
| CAS Registry Number |
37945-74-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20ClNO4 |
| InChI |
InChI=1S/C18H20ClNO4/c1-12-15(8-9-19)16(11-23-13(2)21)20-17(12)18(22)24-10-14-6-4-3-5-7-14/h3-7,20H,8-11H2,1-2H3 |
| InChIKey |
KZYRWCSTQADRCN-UHFFFAOYSA-N |
| Molecular Weight |
349.814 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OCc1ccccc1)=O)C)CCCl)COC(=O)C |
| SPLASH |
splash10-0006-9000000000-9e68182f8fa4326155e2 |
| Source of Spectrum |
KC-1976-2503-0 |
| Synonyms |
Benzyl 5-acetoxymethyl-4-(2-chloroethyl)-3-methylpyrrole-2-carboxylate
benzyl 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate |
| Wiley ID |
1341318 |
![1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester](/api/spectrum/5K3G4ApvPAf/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester")
