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3-Methyl-2(1H)-thioxospiro[benzo[h]quinazoline-5(6H),1'-cyclopentan]-4(3H)-one
SpectraBase Compound ID AkJ8DVYmKo8
InChI InChI=1S/C17H18N2OS/c1-19-15(20)13-14(18-16(19)21)12-7-3-2-6-11(12)10-17(13)8-4-5-9-17/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,21)
InChIKey JAVSQYMZOWHMSA-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C17H18N2OS
Exact Mass 298.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsIfUtBovtD
Name 3-Methyl-2(1H)-thioxospiro[benzo[h]quinazoline-5(6H),1'-cyclopentan]-4(3H)-one
CAS Registry Number 286000-30-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2OS
InChI InChI=1S/C17H18N2OS/c1-19-15(20)13-14(18-16(19)21)12-7-3-2-6-11(12)10-17(13)8-4-5-9-17/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,21)
InChIKey JAVSQYMZOWHMSA-UHFFFAOYSA-N
Molecular Weight 298.404 g/mol
SMILES N1C(N(C(C2=C1c1c(CC22CCCC2)cccc1)=O)C)=S
SPLASH splash10-0a4j-6790000000-1e6e6f1a69508e13987b
Synonyms 3-Methyl-2-sulfanylidene-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one 3-Methyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one 3-Methyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one 3-Methyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Wiley ID 1467723