| SpectraBase Spectrum ID |
7aEpxOI0C2u |
| Name |
2-(5-carbethoxy-4-methyl-1H-pyrrole-3-carbonyl)benzoic acid |
| Alternate Name(s) |
2-(5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carbonyl)benzoic acid
2-[(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)-oxomethyl]benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15NO5 |
| InChI |
InChI=1S/C16H15NO5/c1-3-22-16(21)13-9(2)12(8-17-13)14(18)10-6-4-5-7-11(10)15(19)20/h4-8,17H,3H2,1-2H3,(H,19,20) |
| InChIKey |
IXBKBMQXDRZZJO-UHFFFAOYSA-N |
| Molecular Weight |
301.298 g/mol |
| SMILES |
[nH]1c(c(c(C(c2c(C(=O)O)cccc2)=O)c1)C)C(=O)OCC |
| SPLASH |
splash10-001i-0905000000-d203752c2618c0709b56 |
| Source of Spectrum |
Y-30-221-12 |
| Wiley ID |
1303790 |
