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3-(Cyanomethyl)-2-(benzylthio)-4-oxo-3,4-dihydroquinazoline

View entire compound with spectra: 1 MS (GC)

3-(Cyanomethyl)-2-(benzylthio)-4-oxo-3,4-dihydroquinazoline
SpectraBase Compound ID GAIPvJ5Xwld
InChI InChI=1S/C17H13N3OS/c18-10-11-20-16(21)14-8-4-5-9-15(14)19-17(20)22-12-13-6-2-1-3-7-13/h1-9H,11-12H2
InChIKey BFEOEVIXKZVMCB-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C17H13N3OS
Exact Mass 307.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6USSh0rcWbo
Name 3-(Cyanomethyl)-2-(benzylthio)-4-oxo-3,4-dihydroquinazoline
Alternate Name(s) 2-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]acetonitrile 2-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)acetonitrile 2-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)acetonitrile 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethanenitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3OS
InChI InChI=1S/C17H13N3OS/c18-10-11-20-16(21)14-8-4-5-9-15(14)19-17(20)22-12-13-6-2-1-3-7-13/h1-9H,11-12H2
InChIKey BFEOEVIXKZVMCB-UHFFFAOYSA-N
Molecular Weight 307.371 g/mol
SMILES C=1(N(C(c2c(N1)cccc2)=O)CC#N)SCc1ccccc1
SPLASH splash10-052f-8009000000-6d291b0a140d9fc2d726
Source of Spectrum Y-38-420-4
Wiley ID 848425