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2-(benzylthio)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 2E6mOSyThoY
InChI InChI=1S/C25H26N2OS/c1-27-23(28)21-22(26-24(27)29-17-18-10-4-2-5-11-18)20-13-7-6-12-19(20)16-25(21)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey GJVVEXOLUAEKGZ-UHFFFAOYSA-N
Mol Weight 402.56 g/mol
Molecular Formula C25H26N2OS
Exact Mass 402.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bOveEXcYJ3
Name 2-(benzylthio)-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Alternate Name(s) 2-Benzylsulfanyl-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-Methyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-Methyl-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one Spiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 3-methyl-2-[(phenylmethyl)thio]-
CAS Registry Number 172984-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2OS
InChI InChI=1S/C25H26N2OS/c1-27-23(28)21-22(26-24(27)29-17-18-10-4-2-5-11-18)20-13-7-6-12-19(20)16-25(21)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey GJVVEXOLUAEKGZ-UHFFFAOYSA-N
Molecular Weight 402.556 g/mol
SMILES c12CC3(C4=C(c2cccc1)N=C(N(C4=O)C)SCc1ccccc1)CCCCC3
SPLASH splash10-0006-9310000000-5129f4359d37d02a16d1
Wiley ID 1469508