| SpectraBase Spectrum ID |
IoXmZi7j1yt |
| Name |
Benzeneethanamine, 3-fluoro-.beta.,4,5-trihydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.064471346 u |
| Formula |
C8H10FNO3 |
| InChI |
InChI=1S/C8H10FNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H,3,10H2 |
| InChIKey |
CMXBGHSRBYAOPP-UHFFFAOYSA-N |
| Molecular Weight |
187.170 g/mol |
| SMILES |
C1=C(C=C(C(=C1F)O)O)C(CN)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948306 |
