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cis-(4aS,8aR)-2-(3-bromophenyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
SpectraBase Compound ID 4BSeysG3BoW
InChI InChI=1S/C14H15BrN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h3-5,8,11-12H,1-2,6-7H2,(H,16,17,18)/t11-,12+/m0/s1
InChIKey IEKAQDCLMFYHAX-NWDGAFQWSA-N
Mol Weight 307.19 g/mol
Molecular Formula C14H15BrN2O
Exact Mass 306.036776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JcGN6lDVif
Name cis-(4aS,8aR)-2-(3-bromophenyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
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Formula C14H15BrN2O
InChI InChI=1S/C14H15BrN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h3-5,8,11-12H,1-2,6-7H2,(H,16,17,18)/t11-,12+/m0/s1
InChIKey IEKAQDCLMFYHAX-NWDGAFQWSA-N
Instrument Name VG Analytical 7070E
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960131)10_2_214
Molecular Weight 307.191 g/mol
SMILES N1C([C@@]2([C@](N=C1c1cccc(c1)Br)(CCCC2)[H])[H])=O
SPLASH splash10-0pb9-0294000000-d7b33848bc3543d5e789
Source of Spectrum RCM-10-215-11a
Wiley ID 1835989