| SpectraBase Spectrum ID |
3esYwyuDII4 |
| Name |
1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.108085824 u |
| 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 |
C=1(NC(COC(=O)C)=C(C1C)CCCl)C(OCC=1C=CC=CC1)=O |
![1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester](/api/spectrum/3esYwyuDII4/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-4-(2-chloroethyl)-3-methyl-, phenylmethyl ester")
