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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 AsvEZKNKmZ6
Name 2-BENZYLTHIO-5,6-DIHYDRO-3-METHYLSPIRO(BENZO[h]QUINAZOLINE-5,1'-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 402.1760
SMILES c12ccccc2C=2N=C(SCc3ccccc3)N(C)C(=O)C2C2(CCCCC2)C1
SPLASH splash10-0006-9310000000-9c70951686940ed102f4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany