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Acetamide, N-[3,5-bis[(acetyloxy)methyl]-2-nitrophenyl]-
SpectraBase Compound ID 3JB9WcEs3Q2
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
Mol Weight 324.29 g/mol
Molecular Formula C14H16N2O7
Exact Mass 324.095751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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