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3-Cyclopentyl-2-sulfanyl-4(3H)-quinazolinone
SpectraBase Compound ID 2lrY1rsGV4u
InChI InChI=1S/C13H14N2OS/c16-12-10-7-3-4-8-11(10)14-13(17)15(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,14,17)
InChIKey ROEAWMSBZLHPSX-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHNUwaqsrOa
Name 3-Cyclopentyl-2-sulfanyl-4(3H)-quinazolinone
Alternate Name(s) 3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one 3-cyclopentyl-2-thioxo-1H-quinazolin-4-one Quinazolin-4(3H)-one, 3-cyclopentyl-2-mercapto-
CAS Registry Number 331971-79-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c16-12-10-7-3-4-8-11(10)14-13(17)15(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,14,17)
InChIKey ROEAWMSBZLHPSX-UHFFFAOYSA-N
Molecular Weight 246.328 g/mol
SMILES SC1=Nc2c(cccc2)C(N1C1CCCC1)=O
SPLASH splash10-004l-8910000000-5d0a6de76489d773ecc7
Source of Spectrum AD-0-2532-0
Wiley ID 1428565