| SpectraBase Spectrum ID |
2XK64zmmQl9 |
| Name |
1,3-Propanediol, 2-nitro-1-phenyl-, diacetate; 2-nitro-1-phenyl-1,3-propanediol diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.089937201 u |
| Formula |
C13H15NO6 |
| InChI |
InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3 |
| InChIKey |
AYBALPYBYZFKDS-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC=C1)C(C(COC(C)=O)[N+]([O-])=O)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.961656 |
