| SpectraBase Compound ID | BN2JMh6WT3W |
|---|---|
| InChI | InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3 |
| InChIKey | CINROOONPHQHPO-UHFFFAOYSA-N |
| Mol Weight | 253.39 g/mol |
| Molecular Formula | C18H23N |
| Exact Mass | 253.18305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ln2B6dv3KDI |
|---|---|
| Name | Tolpropamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.183049745 u |
| Formula | C18H23N |
| InChI | InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3 |
| InChIKey | CINROOONPHQHPO-UHFFFAOYSA-N |
| Molecular Weight | 253.389 g/mol |
| SMILES | CC1=CC=C(C(CCN(C)C)C2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954677 |