| SpectraBase Spectrum ID |
FvInsjNkcrq |
| Name |
Benzethidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.214743795 u |
| Formula |
C23H29NO3 |
| InChI |
InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3 |
| InChIKey |
UVTBZAWTRVBTMK-UHFFFAOYSA-N |
| Molecular Weight |
367.489 g/mol |
| SMILES |
C(OCC)(=O)C1(CCN(CC1)CCOCC1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848034 |
