| SpectraBase Compound ID | ERpSAQ3lt5z |
|---|---|
| InChI | InChI=1S/C16H16N2O2/c1-11-7-3-5-9-13(11)17-15(19)16(20)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20) |
| InChIKey | CURRJRVNHCZZST-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C16H16N2O2 |
| Exact Mass | 268.121178 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LnaFv6zYy2O |
|---|---|
| Name | o-Oxalotoluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.121177761 u |
| Formula | C16H16N2O2 |
| InChI | InChI=1S/C16H16N2O2/c1-11-7-3-5-9-13(11)17-15(19)16(20)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20) |
| InChIKey | CURRJRVNHCZZST-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC=C1C)C(C(NC=1C(=CC=CC1)C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.973572 |