For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetic acid, [[(4-chlorophenyl)methyl]thio]-, 2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazide
SpectraBase Compound ID BTKEvmB8KRq
InChI InChI=1S/C17H15ClN2O3S/c18-14-4-1-12(2-5-14)9-24-10-17(21)20-19-8-13-3-6-15-16(7-13)23-11-22-15/h1-8H,9-11H2,(H,20,21)/b19-8+
InChIKey PTUZLHRSOXJFQQ-UFWORHAWSA-N
Mol Weight 362.83 g/mol
Molecular Formula C17H15ClN2O3S
Exact Mass 362.049191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID MsyTW8gp36
Name Acetic acid, [[(4-chlorophenyl)methyl]thio]-, 2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.049191222 u
Formula C17H15ClN2O3S
InChI InChI=1S/C17H15ClN2O3S/c18-14-4-1-12(2-5-14)9-24-10-17(21)20-19-8-13-3-6-15-16(7-13)23-11-22-15/h1-8H,9-11H2,(H,20,21)/b19-8+
InChIKey PTUZLHRSOXJFQQ-UFWORHAWSA-N
Molecular Weight 362.831 g/mol
SMILES N(\N=C\C1=CC=2OCOC2C=C1)C(=O)CSCC1=CC=C(C=C1)Cl