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2-[2-thioxo-2,3-dihydro-1H-quinazolin-4-ylidene]-cyclohexane-1,3-dione
SpectraBase Compound ID 7riwaNX7TN1
InChI InChI=1S/C14H12N2O2S/c17-10-6-3-7-11(18)12(10)13-8-4-1-2-5-9(8)15-14(19)16-13/h1-2,4-5H,3,6-7H2,(H2,15,16,19)
InChIKey BNEMDKGWJZHWMA-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C14H12N2O2S
Exact Mass 272.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nYhhjaNfjS
Name 2-[2-thioxo-2,3-dihydro-1H-quinazolin-4-ylidene]-cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c17-10-6-3-7-11(18)12(10)13-8-4-1-2-5-9(8)15-14(19)16-13/h1-2,4-5H,3,6-7H2,(H2,15,16,19)
InChIKey BNEMDKGWJZHWMA-UHFFFAOYSA-N
Molecular Weight 272.322 g/mol
SMILES N1C(=S)Nc2c(C1=C1C(=O)CCCC1=O)cccc2
SPLASH splash10-00dr-0190000000-2a2b53f0d54a25f7468e
Source of Spectrum F4-0-3071-5
Synonyms 2-(2-Thioxo-2,3-dihydro-4(1H)-quinazolinylidene)-1,3-cyclohexanedione 4-[1,2-Dihydro-2-thioxoquinazoline-2(1H)-ylidene]cyclohexane-1,3-dione
Wiley ID 1620672