| SpectraBase Spectrum ID |
2nv7GdH2jrR |
| Name |
8-Bromo-N-propyl-N-demethyl-apocodeine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.083391950 u |
| Formula |
C20H22BrNO2 |
| InChI |
InChI=1S/C20H22BrNO2/c1-3-8-22-9-7-12-5-4-6-13-18(12)16(22)10-14-15(21)11-17(24-2)20(23)19(13)14/h4-6,11,16,23H,3,7-10H2,1-2H3/t16-/m1/s1 |
| InChIKey |
DDWYDYDXZJRFGW-MRXNPFEDSA-N |
| Molecular Weight |
388.305 g/mol |
| SMILES |
C12=C(C[C@@]3(C4=C2C=CC=C4CCN3CCC)[H])C(Br)=CC(=C1O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905899 |
