| SpectraBase Spectrum ID |
zYELpiy1cj |
| Name |
(S)-1-(2-Bromo-3-nitrophenyl)ethan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.968756119 u |
| Formula |
C8H8BrNO3 |
| InChI |
InChI=1S/C8H8BrNO3/c1-5(11)6-3-2-4-7(8(6)9)10(12)13/h2-5,11H,1H3/t5-/m0/s1 |
| InChIKey |
MXSDMMCLOITJKV-YFKPBYRVSA-N |
| Molecular Weight |
246.060 g/mol |
| SMILES |
C1(N(=O)=O)=C(C([C@@](O)(C)[H])=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888555 |
