| SpectraBase Spectrum ID |
FIbRUmahcVd |
| Name |
5-Hydroxymethyltolterodine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.235479240 u |
| Formula |
C22H31NO2 |
| InChI |
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1 |
| InChIKey |
DUXZAXCGJSBGDW-HXUWFJFHSA-N |
| Molecular Weight |
341.495 g/mol |
| SMILES |
C1(=CC(=C(C=C1)O)[C@](CCN(C(C)C)C(C)C)(C1=CC=CC=C1)[H])CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953273 |
