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cis-(4aS,8aR)-2-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
SpectraBase Compound ID HsbC05Hodwh
InChI InChI=1S/C14H15ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h5-8,11-12H,1-4H2,(H,16,17,18)/t11-,12+/m0/s1
InChIKey MTQWKNXBIYBUDV-NWDGAFQWSA-N
Mol Weight 262.74 g/mol
Molecular Formula C14H15ClN2O
Exact Mass 262.087291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKUALyICwCf
Name cis-(4aS,8aR)-2-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
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Formula C14H15ClN2O
InChI InChI=1S/C14H15ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h5-8,11-12H,1-4H2,(H,16,17,18)/t11-,12+/m0/s1
InChIKey MTQWKNXBIYBUDV-NWDGAFQWSA-N
Instrument Name VG Analytical 7070E
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960131)10_2_214
Molecular Weight 262.740 g/mol
SMILES N1C([C@@]2([C@](N=C1c1ccc(cc1)Cl)(CCCC2)[H])[H])=O
SPLASH splash10-0bt9-1090000000-7e22046d345d447a7c43
Source of Spectrum RCM-10-215-8a
Wiley ID 1836010