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

*Links on SpectraBase are not permalinks.

{[3-(2-Methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetonitrile

View entire compound with spectra: 2 NMR

{[3-(2-Methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetonitrile
SpectraBase Compound ID GZWkzSlcfLv
InChI InChI=1S/C17H13N3OS/c1-12-6-2-5-9-15(12)20-16(21)13-7-3-4-8-14(13)19-17(20)22-11-10-18/h2-9H,11H2,1H3
InChIKey PNFGKEVNKIALRW-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C17H13N3OS
Exact Mass 307.077933 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 DmizhTpLTm4
Name {[3-(2-Methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.077933224 u
Formula C17H13N3OS
InChI InChI=1S/C17H13N3OS/c1-12-6-2-5-9-15(12)20-16(21)13-7-3-4-8-14(13)19-17(20)22-11-10-18/h2-9H,11H2,1H3
InChIKey PNFGKEVNKIALRW-UHFFFAOYSA-N
Molecular Weight 307.371 g/mol
SMILES C1=CC=C(N2C(=NC3=C(C2=O)C=CC=C3)SCC#N)C(C)=C1