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

*Links on SpectraBase are not permalinks.

2-BUTYLMERCAPTO-4-PHENYL-8E-BENZYLIDENE-5,6,7,8-TETRAHYDROQUINAZOLINE

View entire compound with spectra: 1 NMR

2-BUTYLMERCAPTO-4-PHENYL-8E-BENZYLIDENE-5,6,7,8-TETRAHYDROQUINAZOLINE
SpectraBase Compound ID KprF2AUuLbR
InChI InChI=1S/C25H26N2S/c1-2-3-17-28-25-26-23(20-13-8-5-9-14-20)22-16-10-15-21(24(22)27-25)18-19-11-6-4-7-12-19/h4-9,11-14,18H,2-3,10,15-17H2,1H3/b21-18+
InChIKey XKUIIXMMKRYNGS-DYTRJAOYSA-N
Mol Weight 386.56 g/mol
Molecular Formula C25H26N2S
Exact Mass 386.18167 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 5Pt4MRoZ3NE
Name 2-BUTYLMERCAPTO-4-PHENYL-8E-BENZYLIDENE-5,6,7,8-TETRAHYDROQUINAZOLINE
Comments TSQÑ8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H26N2S
InChI InChI=1S/C25H26N2S/c1-2-3-17-28-25-26-23(20-13-8-5-9-14-20)22-16-10-15-21(24(22)27-25)18-19-11-6-4-7-12-19/h4-9,11-14,18H,2-3,10,15-17H2,1H3/b21-18+
InChIKey XKUIIXMMKRYNGS-DYTRJAOYSA-N
Instrument Name Varian XL-100
Literature Reference T.LORAND, A.FOLDESI, A.NESZMELYI (1982) Acta Chimica Hungarica: v.110, N2, 231-237.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d