| SpectraBase Compound ID | 5caGPS5XofD |
|---|---|
| InChI | InChI=1S/C16H17NO/c1-11-6-4-9-14(10-11)16(18)17-15-12(2)7-5-8-13(15)3/h4-10H,1-3H3,(H,17,18) |
| InChIKey | QIFYWJGCNCSYNT-UHFFFAOYSA-N |
| Mol Weight | 239.32 g/mol |
| Molecular Formula | C16H17NO |
| Exact Mass | 239.131014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D6gmHp1bmmo |
|---|---|
| Name | m-Tolu-2',6'-xylidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.131014170 u |
| Formula | C16H17NO |
| InChI | InChI=1S/C16H17NO/c1-11-6-4-9-14(10-11)16(18)17-15-12(2)7-5-8-13(15)3/h4-10H,1-3H3,(H,17,18) |
| InChIKey | QIFYWJGCNCSYNT-UHFFFAOYSA-N |
| Molecular Weight | 239.318 g/mol |
| SMILES | N(C(C1=CC=CC(=C1)C)=O)C=1C(=CC=CC1C)C |
| Spectrum/Structure Validation Score (Raman) | 0.939571 |