| SpectraBase Spectrum ID |
6pB8pV87PFv |
| Name |
Tolterodine me P1154 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.256214686 u |
| Formula |
C23H33NO |
| InChI |
InChI=1S/C23H33NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-13,16-18,21H,14-15H2,1-6H3 |
| InChIKey |
CCXFTVHDCYNKJH-UHFFFAOYSA-N |
| Molecular Weight |
339.523 g/mol |
| SMILES |
C=1(C=CC(=CC1C(CCN(C(C)C)C(C)C)C1=CC=CC=C1)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958272 |