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Dopacetamide, diacetate

View entire compound with spectra: 1 FTIR

Dopacetamide, diacetate
SpectraBase Compound ID KDd6YjUNStv
InChI InChI=1S/C12H13NO5/c1-7(14)17-10-4-3-9(6-12(13)16)5-11(10)18-8(2)15/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKey XFPKXHPOOGGBQG-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AmwYT1imY8y
Name Dopacetamide, diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.079372518 u
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-7(14)17-10-4-3-9(6-12(13)16)5-11(10)18-8(2)15/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKey XFPKXHPOOGGBQG-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C1=CC(=C(C=C1CC(N)=O)OC(=O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980041