| SpectraBase Compound ID | 8rk1Sevzo5A |
|---|---|
| InChI | InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3 |
| InChIKey | IZRPKIZLIFYYKR-UHFFFAOYSA-N |
| Mol Weight | 255.36 g/mol |
| Molecular Formula | C17H21NO |
| Exact Mass | 255.162314 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 11sbl5WNjTr |
|---|---|
| Name | Phenyltoloxamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.162314299 u |
| Formula | C17H21NO |
| InChI | InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3 |
| InChIKey | IZRPKIZLIFYYKR-UHFFFAOYSA-N |
| Molecular Weight | 255.361 g/mol |
| SMILES | C1=CC=C(C(=C1)OCCN(C)C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.997168 |