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4-(2-methoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione

View entire compound with spectra: 2 NMR

4-(2-methoxyphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
SpectraBase Compound ID 12H7fokbCHF
InChI InChI=1S/C19H18N2OS/c1-22-16-9-5-4-8-14(16)18-15-11-10-12-6-2-3-7-13(12)17(15)20-19(23)21-18/h2-9,18H,10-11H2,1H3,(H2,20,21,23)
InChIKey RRNQTRUABGKHFI-UHFFFAOYSA-N
Mol Weight 322.43 g/mol
Molecular Formula C19H18N2OS
Exact Mass 322.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRcAn8T3Pwt
Name 4-(2-Methoxyphenyl)-3,4,5,6-tetrahydrobenzo[H]quinazoline-2(1H)-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.113984381 u
Formula C19H18N2OS
InChI InChI=1S/C19H18N2OS/c1-22-16-9-5-4-8-14(16)18-15-11-10-12-6-2-3-7-13(12)17(15)20-19(23)21-18/h2-9,18H,10-11H2,1H3,(H2,20,21,23)
InChIKey RRNQTRUABGKHFI-UHFFFAOYSA-N
Molecular Weight 322.426 g/mol
SMILES N1C(C2=C(C=3C(CC2)=CC=CC3)NC1=S)C=1C(OC)=CC=CC1