| SpectraBase Spectrum ID |
6qZ33azF8Jg |
| Name |
2-[(5-carbethoxy-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO4 |
| InChI |
InChI=1S/C16H17NO4/c1-3-21-16(20)14-10(2)12(9-17-14)8-11-6-4-5-7-13(11)15(18)19/h4-7,9,17H,3,8H2,1-2H3,(H,18,19) |
| InChIKey |
HNLJRVFXVWDOOV-UHFFFAOYSA-N |
| Molecular Weight |
287.315 g/mol |
| SMILES |
OC(c1c(Cc2c(c([nH]c2)C(=O)OCC)C)cccc1)=O |
| SPLASH |
splash10-000b-0970000000-1e3dec1d0b41f635d2a7 |
| Source of Spectrum |
Y-30-221-13 |
| Wiley ID |
1290822 |
![2-[(5-carbethoxy-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid](/api/spectrum/6qZ33azF8Jg/structure.png?h=300&w=458 "2-[(5-carbethoxy-4-methyl-1H-pyrrol-3-yl)methyl]benzoic acid")
