| SpectraBase Spectrum ID |
2kq5B15V17r |
| Name |
L-alpha-Acetyl-N-normethadol HC l inkbr |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.196506908 u |
| Formula |
C22H30ClNO2 |
| InChI |
InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H/t17-,21-;/m0./s1 |
| InChIKey |
QOWPUUFVFLIYRR-PVMVIUQGSA-N |
| Molecular Weight |
375.940 g/mol |
| Nominal Mass |
375 u |
| SMILES |
Cl.N(C)[C@](CC(C=1C=CC=CC1)([C@@](OC(=O)C)(CC)[H])C1=CC=CC=C1)(C)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.992645 |
