| SpectraBase Spectrum ID |
3SKAuiTKOG8 |
| Name |
3-Thiophenecarboxylic acid, 2-[(3-bromobenzoyl)amino]-4,5-dimethyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.987777486 u |
| Formula |
C15H14BrNO3S |
| InChI |
InChI=1S/C15H14BrNO3S/c1-8-9(2)21-14(12(8)15(19)20-3)17-13(18)10-5-4-6-11(16)7-10/h4-7H,1-3H3,(H,17,18) |
| InChIKey |
MWRBBNDLMWKYOF-UHFFFAOYSA-N |
| Molecular Weight |
368.245 g/mol |
| SMILES |
C=1(SC(=C(C1C(=O)OC)C)C)NC(=O)C1=CC(=CC=C1)Br |
![3-Thiophenecarboxylic acid, 2-[(3-bromobenzoyl)amino]-4,5-dimethyl-, methyl ester](/api/spectrum/3SKAuiTKOG8/structure.png?h=300&w=458 "3-Thiophenecarboxylic acid, 2-[(3-bromobenzoyl)amino]-4,5-dimethyl-, methyl ester")
