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Desmedipham (98.7%)

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 5 MS (GC)

Desmedipham (98.7%)
SpectraBase Compound ID 9Aau3malP5X
InChI InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4ZMGa4byfrH
Name Desmedipham (98.7%)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.111006999 u
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Molecular Weight 300.314 g/mol
SMILES N(C=1C=CC=C(OC(NC=2C=CC=CC2)=O)C1)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.775551