| SpectraBase Spectrum ID |
4FAlFl7rqRU |
| Name |
U-2-Bromo-.alpha.-(1,2,3,4-tetrahydro-6,7-methylenedioxy-1-isoquinolinyl)benzyl-alcohol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.031356376 u |
| Formula |
C17H16BrNO3 |
| InChI |
InChI=1S/C17H16BrNO3/c18-13-4-2-1-3-11(13)17(20)16-12-8-15-14(21-9-22-15)7-10(12)5-6-19-16/h1-4,7-8,16-17,19-20H,5-6,9H2 |
| InChIKey |
CGLJODHLHFNYRF-UHFFFAOYSA-N |
| Molecular Weight |
362.223 g/mol |
| SMILES |
C=12C(C(C=3C(Br)=CC=CC3)O)NCCC1C=C1OCOC1=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944448 |
