| SpectraBase Spectrum ID |
G5HAVuoKLn9 |
| Name |
4-benzoyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester |
| Alternate Name(s) |
ethyl 2,5-dimethyl-4-(phenylcarbonyl)-1H-pyrrole-3-carboxylate
ethyl 4-benzoyl-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO3 |
| InChI |
InChI=1S/C16H17NO3/c1-4-20-16(19)14-11(3)17-10(2)13(14)15(18)12-8-6-5-7-9-12/h5-9,17H,4H2,1-3H3 |
| InChIKey |
YSAZTBADTSNTFG-UHFFFAOYSA-N |
| Molecular Weight |
271.316 g/mol |
| SMILES |
[nH]1c(c(c(c1C)C(=O)c1ccccc1)C(=O)OCC)C |
| SPLASH |
splash10-004i-0090000000-04492708cb558cba947c |
| Source of Spectrum |
J-60-4949-8 |
| Wiley ID |
1275365 |
