| SpectraBase Spectrum ID |
LL9vJjmABu7 |
| Name |
Benzenemethanol, alpha-(bromomethyl)-4-nitro-; benzyl alcohol, alpha-(bromomethyl)-p-nitro- |
| 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/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4,8,11H,5H2 |
| InChIKey |
LZCQQYQFJPLEBE-UHFFFAOYSA-N |
| Molecular Weight |
246.060 g/mol |
| SMILES |
OC(C1=CC=C(C=C1)[N+]([O-])=O)CBr |
| Spectrum/Structure Validation Score (Raman) |
0.929852 |
