| SpectraBase Spectrum ID |
95wQuzuoaBC |
| Name |
Benzyl alcohol, 5-methoxy-.alpha.-methyl-2-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
197.068807834 u |
| Formula |
C9H11NO4 |
| InChI |
InChI=1S/C9H11NO4/c1-6(11)8-5-7(14-2)3-4-9(8)10(12)13/h3-6,11H,1-2H3 |
| InChIKey |
JPQNCBAPUORBRU-UHFFFAOYSA-N |
| Molecular Weight |
197.190 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(=CC1C(C)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91536 |
