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3-Pyridinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-

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3-Pyridinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-
SpectraBase Compound ID ESOGZSsAiz1
InChI InChI=1S/C21H15N3O3S/c25-20(23-11-13-7-8-16-17(10-13)27-12-26-16)14-4-3-9-22-19(14)21-24-15-5-1-2-6-18(15)28-21/h1-10H,11-12H2,(H,23,25)
InChIKey ZSGIRZPZEOZQEY-UHFFFAOYSA-N
Mol Weight 389.43 g/mol
Molecular Formula C21H15N3O3S
Exact Mass 389.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RG5kySKMHu
Name 3-Pyridinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.083412526 u
Formula C21H15N3O3S
InChI InChI=1S/C21H15N3O3S/c25-20(23-11-13-7-8-16-17(10-13)27-12-26-16)14-4-3-9-22-19(14)21-24-15-5-1-2-6-18(15)28-21/h1-10H,11-12H2,(H,23,25)
InChIKey ZSGIRZPZEOZQEY-UHFFFAOYSA-N
Molecular Weight 389.429 g/mol
SMILES C1(=NC=2C=CC=CC2S1)C=1C(C(NCC2=CC=3OCOC3C=C2)=O)=CC=CN1