| SpectraBase Spectrum ID |
IwQhbdSZVM9 |
| Name |
Methyl 6-acetamido-[1,1'-biphenyl]-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.105193344 u |
| Formula |
C16H15NO3 |
| InChI |
InChI=1S/C16H15NO3/c1-11(18)17-15-9-8-13(16(19)20-2)10-14(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18) |
| InChIKey |
SGHQTFZGUUGZDH-UHFFFAOYSA-N |
| Molecular Weight |
269.300 g/mol |
| SMILES |
C=1(C=C(C=CC1NC(C)=O)C(=O)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969304 |