| SpectraBase Compound ID | 8TghJpcXY8I |
|---|---|
| InChI | InChI=1S/C23H31NO3/c1-17(25)27-22-16-18-14-19(22)15-21(18)23(26,20-8-4-2-5-9-20)10-13-24-11-6-3-7-12-24/h2,4-5,8-9,16,18-19,21,26H,3,6-7,10-15H2,1H3 |
| InChIKey | ADFJMSCIWHJRDQ-UHFFFAOYSA-N |
| Mol Weight | 369.51 g/mol |
| Molecular Formula | C23H31NO3 |
| Exact Mass | 369.230394 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L9ZYsozsOxP |
|---|---|
| Name | Biperiden-m (ho-) ac P1308 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.230393859 u |
| Formula | C23H31NO3 |
| InChI | InChI=1S/C23H31NO3/c1-17(25)27-22-16-18-14-19(22)15-21(18)23(26,20-8-4-2-5-9-20)10-13-24-11-6-3-7-12-24/h2,4-5,8-9,16,18-19,21,26H,3,6-7,10-15H2,1H3 |
| InChIKey | ADFJMSCIWHJRDQ-UHFFFAOYSA-N |
| Molecular Weight | 369.505 g/mol |
| SMILES | CC(OC1=CC2C(C(C3=CC=CC=C3)(CCN3CCCCC3)O)CC1C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806499 |