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5-Spiro-cyclohexane-3-cyclopentyl-2-mercapto-5,6-dihydro-3H-benzo[h]quinazolin-4-one
SpectraBase Compound ID 8U9u2GJIVpc
InChI InChI=1S/C22H26N2OS/c25-20-18-19(23-21(26)24(20)16-9-3-4-10-16)17-11-5-2-8-15(17)14-22(18)12-6-1-7-13-22/h2,5,8,11,16H,1,3-4,6-7,9-10,12-14H2,(H,23,26)
InChIKey AVWWDVWKULWVME-UHFFFAOYSA-N
Mol Weight 366.52 g/mol
Molecular Formula C22H26N2OS
Exact Mass 366.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11AJhDgHUyg
Name 5-Spiro-cyclohexane-3-cyclopentyl-2-mercapto-5,6-dihydro-3H-benzo[h]quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2OS
InChI InChI=1S/C22H26N2OS/c25-20-18-19(23-21(26)24(20)16-9-3-4-10-16)17-11-5-2-8-15(17)14-22(18)12-6-1-7-13-22/h2,5,8,11,16H,1,3-4,6-7,9-10,12-14H2,(H,23,26)
InChIKey AVWWDVWKULWVME-UHFFFAOYSA-N
Molecular Weight 366.523 g/mol
SMILES SC1=NC2=C(C(N1C1CCCC1)=O)C1(Cc3ccccc23)CCCCC1
SPLASH splash10-0005-0790000000-e4e305759e9f982ff823
Synonyms 3-cyclopentyl-2-sulfanylidene-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one 3-cyclopentyl-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-cyclopentyl-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
Wiley ID 1437646