| SpectraBase Compound ID | BmDEru96wy5 |
|---|---|
| InChI | InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2 |
| InChIKey | JUHORIMYRDESRB-UHFFFAOYSA-N |
| Mol Weight | 240.35 g/mol |
| Molecular Formula | C16H20N2 |
| Exact Mass | 240.162649 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9ZHeVC53ifZ |
|---|---|
| Name | Benzathine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.162648652 u |
| Formula | C16H20N2 |
| InChI | InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2 |
| InChIKey | JUHORIMYRDESRB-UHFFFAOYSA-N |
| Molecular Weight | 240.350 g/mol |
| SMILES | N(CC1=CC=CC=C1)CCNCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.990967 |