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

*Links on SpectraBase are not permalinks.

6-Methylflavanone, 4-phenyl-3-thiosemicarbazone

View entire compound with spectra: 2 NMR, and 1 FTIR

6-Methylflavanone, 4-phenyl-3-thiosemicarbazone
SpectraBase Compound ID HhSKWTjn88h
InChI InChI=1S/C23H21N3OS/c1-16-12-13-21-19(14-16)20(15-22(27-21)17-8-4-2-5-9-17)25-26-23(28)24-18-10-6-3-7-11-18/h2-14,22H,15H2,1H3,(H2,24,26,28)/b25-20+
InChIKey DAWXFOCXQQJQRS-LKUDQCMESA-N
Mol Weight 387.5 g/mol
Molecular Formula C23H21N3OS
Exact Mass 387.140533 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 9zxSjefbo6
Name 6-Methylflavanone, 4-phenyl-3-thiosemicarbazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.140533481 u
Formula C23H21N3OS
InChI InChI=1S/C23H21N3OS/c1-16-12-13-21-19(14-16)20(15-22(27-21)17-8-4-2-5-9-17)25-26-23(28)24-18-10-6-3-7-11-18/h2-14,22H,15H2,1H3,(H2,24,26,28)/b25-20+
InChIKey DAWXFOCXQQJQRS-LKUDQCMESA-N
Molecular Weight 387.501 g/mol
SMILES N(\N=C/1CC(OC=2C=CC(=CC12)C)C=1C=CC=CC1)C(NC=1C=CC=CC1)=S