| SpectraBase Spectrum ID |
4OrZPjiKN6o |
| Name |
Formic acid, (4-methoxy-3-nitrophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.048072389 u |
| Formula |
C9H9NO5 |
| InChI |
InChI=1S/C9H9NO5/c1-14-9-3-2-7(5-15-6-11)4-8(9)10(12)13/h2-4,6H,5H2,1H3 |
| InChIKey |
VFCJZZYJXYIJQS-UHFFFAOYSA-N |
| Molecular Weight |
211.173 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC)N(=O)=O)COC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964879 |
