SpectraBase Spectrum ID |
E9A2KreqD5e |
Name |
Acetamide, N-[3,5-bis[(acetyloxy)methyl]-2-nitrophenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.095750856 u |
Formula |
C14H16N2O7 |
InChI |
InChI=1S/C14H16N2O7/c1-8(17)15-13-5-11(6-22-9(2)18)4-12(7-23-10(3)19)14(13)16(20)21/h4-5H,6-7H2,1-3H3,(H,15,17) |
InChIKey |
JVLIYPGKQTWMRM-UHFFFAOYSA-N |
Molecular Weight |
324.289 g/mol |
SMILES |
C1(N(=O)=O)=C(C=C(C=C1NC(=O)C)COC(=O)C)COC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972094 |