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2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

View entire compound with spectra: 2 NMR

2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
SpectraBase Compound ID FtR6DSoI8wI
InChI InChI=1S/C20H13N3O5S/c1-11(24)28-14-5-3-2-4-13(14)18-21-20-23(22-18)19(25)17(29-20)9-12-6-7-15-16(8-12)27-10-26-15/h2-9H,10H2,1H3/b17-9-
InChIKey NINKTKRXPFKDDN-MFOYZWKCSA-N
Mol Weight 407.4 g/mol
Molecular Formula C20H13N3O5S
Exact Mass 407.057592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CWVtgdp4Tq
Name 2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-B][1,2,4]triazol-2-yl]phenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.057591700 u
Formula C20H13N3O5S
InChI InChI=1S/C20H13N3O5S/c1-11(24)28-14-5-3-2-4-13(14)18-21-20-23(22-18)19(25)17(29-20)9-12-6-7-15-16(8-12)27-10-26-15/h2-9H,10H2,1H3/b17-9-
InChIKey NINKTKRXPFKDDN-MFOYZWKCSA-N
Molecular Weight 407.400 g/mol
SMILES C=1C=CC(C2=NN3C(=N2)S\C(C3=O)=C\C2=CC=3OCOC3C=C2)=C(OC(=O)C)C1