| SpectraBase Spectrum ID |
26ijVUb6HRy |
| Name |
8-Bromo-apocodeine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.052091822 u |
| Formula |
C18H18BrNO2 |
| InChI |
InChI=1S/C18H18BrNO2/c1-20-7-6-10-4-3-5-11-16(10)14(20)8-12-13(19)9-15(22-2)18(21)17(11)12/h3-5,9,14,21H,6-8H2,1-2H3/t14-/m1/s1 |
| InChIKey |
BBZWCOAUKQHXJE-CQSZACIVSA-N |
| Molecular Weight |
360.251 g/mol |
| SMILES |
C12=C(C[C@@]3(C4=C2C=CC=C4CCN3C)[H])C(Br)=CC(=C1O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852734 |
