| SpectraBase Spectrum ID |
IKpkDgXANr9 |
| Name |
Phenylacetic acid, 2-nitro-.alpha.,.alpha.-dimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.084457899 u |
| Formula |
C11H13NO4 |
| InChI |
InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-6-4-5-7-9(8)12(14)15/h4-7H,1-3H3 |
| InChIKey |
OOARJEHFHURUIO-UHFFFAOYSA-N |
| Molecular Weight |
223.228 g/mol |
| SMILES |
C1=C(C(=CC=C1)N(=O)=O)C(C(OC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837289 |
