| SpectraBase Spectrum ID |
5IN8ojvnzIy |
| Name |
(phenylmethyl) 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Alternate Name(s) |
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester
benzyl 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| CAS Registry Number |
51089-69-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18ClNO2 |
| InChI |
InChI=1S/C16H18ClNO2/c1-11-14(8-9-17)12(2)18-15(11)16(19)20-10-13-6-4-3-5-7-13/h3-7,18H,8-10H2,1-2H3 |
| InChIKey |
OBDAMAVRRAQOBP-UHFFFAOYSA-N |
| Molecular Weight |
291.778 g/mol |
| SMILES |
[nH]1c(c(c(c1C(OCc1ccccc1)=O)C)CCCl)C |
| SPLASH |
splash10-0006-9000000000-0c8f040774b076d07f5a |
| Source of Spectrum |
KC-1976-2503-0 |
| Wiley ID |
1294524 |
