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beta-RESORCYLALDEHYDE, 4-(3alpha,4,5,6,7,7alpha-HEXAHYDRO-4,7-METHANOINDEN-5-YL)-3-THIOSEMICARBAZONE

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beta-RESORCYLALDEHYDE, 4-(3alpha,4,5,6,7,7alpha-HEXAHYDRO-4,7-METHANOINDEN-5-YL)-3-THIOSEMICARBAZONE
SpectraBase Compound ID CbQbleKR8G4
InChI InChI=1S/C18H21N3O2S/c22-12-5-4-10(17(23)8-12)9-19-21-18(24)20-16-7-11-6-15(16)14-3-1-2-13(11)14/h1,3-5,8-9,11,13-16,22-23H,2,6-7H2,(H2,20,21,24)/b19-9+
InChIKey WBQNOLKWDAGQAC-DJKKODMXSA-N
Mol Weight 343.45 g/mol
Molecular Formula C18H21N3O2S
Exact Mass 343.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsUL69GEDk1
Name beta-Resorcylaldehyde, 4-(3A,4,5,6,7,7A-hexahydro-4,7-methanoinden-5-yl)-3-thiosemicarbazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.135448100 u
Formula C18H21N3O2S
InChI InChI=1S/C18H21N3O2S/c22-12-5-4-10(17(23)8-12)9-19-21-18(24)20-16-7-11-6-15(16)14-3-1-2-13(11)14/h1,3-5,8-9,11,13-16,22-23H,2,6-7H2,(H2,20,21,24)/b19-9+
InChIKey WBQNOLKWDAGQAC-DJKKODMXSA-N
Molecular Weight 343.445 g/mol
SMILES OC1=CC=C(C(=C1)O)\C=N\NC(NC1CC2C3CC=CC3C1C2)=S