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Ditazol-M (dealkyl-HO-) ME2AC

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

Ditazol-M (dealkyl-HO-) ME2AC
SpectraBase Compound ID J1vPNN09tq9
InChI InChI=1S/C22H22N2O5/c1-15(25)24(13-14-28-16(2)26)22-23-20(17-7-5-4-6-8-17)21(29-22)18-9-11-19(27-3)12-10-18/h4-12H,13-14H2,1-3H3
InChIKey PZFHMPWHYBUOGJ-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BusGAg8Denj
Name Ditazol-m (dealkyl-ho-) ME2AC P1420
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.152871811 u
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-15(25)24(13-14-28-16(2)26)22-23-20(17-7-5-4-6-8-17)21(29-22)18-9-11-19(27-3)12-10-18/h4-12H,13-14H2,1-3H3
InChIKey PZFHMPWHYBUOGJ-UHFFFAOYSA-N
Molecular Weight 394.427 g/mol
SMILES C=1C(C2=C(N=C(O2)N(CCOC(C)=O)C(C)=O)C=2C=CC=CC2)=CC=C(C1)OC