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4-Hydroxy-2-pentylthioquinazoline

View entire compound with spectra: 1 MS (GC)

4-Hydroxy-2-pentylthioquinazoline
SpectraBase Compound ID k3emGx12Gn
InChI InChI=1S/C13H16N2OS/c1-2-3-6-9-17-13-14-11-8-5-4-7-10(11)12(16)15-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15,16)
InChIKey JYTGZHWCHZPUMT-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ryeXZyWWh9
Name 4-Hydroxy-2-pentylthioquinazoline
Alternate Name(s) 2-(pentylthio)-1H-quinazolin-4-one 2-Pentylsulfanyl-1H-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-2-3-6-9-17-13-14-11-8-5-4-7-10(11)12(16)15-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15,16)
InChIKey JYTGZHWCHZPUMT-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES Oc1nc(nc2ccccc12)SCCCCC
SPLASH splash10-004l-1930000000-323b4d1afa198e6ddfec
Source of Spectrum F2-47-289-1b
Wiley ID 1714999