| SpectraBase Compound ID | 44ROhBF5ug1 |
|---|---|
| InChI | InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20? |
| InChIKey | GIJXKZJWITVLHI-UHFFFAOYSA-N |
| Mol Weight | 307.44 g/mol |
| Molecular Formula | C21H25NO |
| Exact Mass | 307.193614 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 97IuRFkQ2yT |
|---|---|
| Name | Benztropine in kbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.193614428 u |
| Formula | C21H25NO |
| InChI | InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3 |
| InChIKey | GIJXKZJWITVLHI-UHFFFAOYSA-N |
| SMILES | C1C2CC(CC(C1)N2C)OC(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.993748 |