| SpectraBase Spectrum ID |
GeGEcH17GEO |
| Name |
1-Isoquinolinemethanol, .alpha.-(2-bromophenyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.041527138 u |
| Formula |
C16H16BrNO |
| InChI |
InChI=1S/C16H16BrNO/c17-14-8-4-3-7-13(14)16(19)15-12-6-2-1-5-11(12)9-10-18-15/h1-8,15-16,18-19H,9-10H2/t15-,16+/m0/s1 |
| InChIKey |
AFQYBWQIFAKHQG-JKSUJKDBSA-N |
| Molecular Weight |
318.214 g/mol |
| SMILES |
[C@]1([C@@](C=2C(Br)=CC=CC2)(O)[H])(C2=C(C=CC=C2)CCN1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974974 |
