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

View entire compound with spectra: 2 NMR

4-(4-methylphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
SpectraBase Compound ID BW7lLyo9HPx
InChI InChI=1S/C19H18N2S/c1-12-6-8-14(9-7-12)17-16-11-10-13-4-2-3-5-15(13)18(16)21-19(22)20-17/h2-9,17H,10-11H2,1H3,(H2,20,21,22)
InChIKey VMAXSTGDCWQRBZ-UHFFFAOYSA-N
Mol Weight 306.43 g/mol
Molecular Formula C19H18N2S
Exact Mass 306.11907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qOumLrq9Dp
Name 4-(4-Methylphenyl)-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 306.119069762 u
Formula C19H18N2S
InChI InChI=1S/C19H18N2S/c1-12-6-8-14(9-7-12)17-16-11-10-13-4-2-3-5-15(13)18(16)21-19(22)20-17/h2-9,17H,10-11H2,1H3,(H2,20,21,22)
InChIKey VMAXSTGDCWQRBZ-UHFFFAOYSA-N
Molecular Weight 306.427 g/mol
SMILES N1C(C2=C(C=3C(CC2)=CC=CC3)NC1=S)C=1C=CC(=CC1)C