| SpectraBase Spectrum ID |
KVONlJLFq2X |
| Name |
(2R)-3-Methoxy-2-methyl-2-(2-nitrophenoxy)-3-oxopropanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.053551691 u |
| Formula |
C11H11NO7 |
| InChI |
InChI=1S/C11H11NO7/c1-11(9(13)14,10(15)18-2)19-8-6-4-3-5-7(8)12(16)17/h3-6H,1-2H3,(H,13,14)/t11-/m1/s1 |
| InChIKey |
PLYVOZCGQKOEGR-LLVKDONJSA-N |
| SMILES |
[C@](OC=1C(N(=O)=O)=CC=CC1)(C(=O)O)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879527 |
