| SpectraBase Spectrum ID |
CWCd8kI3hmO |
| Name |
L-alpha-Acetylmethadol in kbr-hplc preparation of HC l salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.235479240 u |
| Formula |
C23H31NO2 |
| InChI |
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1 |
| InChIKey |
XBMIVRRWGCYBTQ-AVRDEDQJSA-N |
| Molecular Weight |
353.506 g/mol |
| SMILES |
CN([C@@](C)(CC(C=1C=CC=CC1)([C@](CC)(OC(=O)C)[H])C1=CC=CC=C1)[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.995408 |
