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(4aS,10bS,12aS)-9-Bromo-4,4a,12,12a-tetrahydro-1H,10bH-6,11-dioxa-4b-aza-chrysene
SpectraBase Compound ID 1gHCVYMLiPj
InChI InChI=1S/C15H16BrNO2/c16-11-5-6-14-12(7-11)15-17(9-19-14)13-4-2-1-3-10(13)8-18-15/h1-2,5-7,10,13,15H,3-4,8-9H2/t10-,13+,15+/m1/s1
InChIKey OBLMLSDACGRQPZ-DGFSRKRXSA-N
Mol Weight 322.2 g/mol
Molecular Formula C15H16BrNO2
Exact Mass 321.036442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 558VYWaZo1d
Name (4aS,10bS,12aS)-9-Bromo-4,4a,12,12a-tetrahydro-1H,10bH-6,11-dioxa-4b-aza-chrysene
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Formula C15H16BrNO2
InChI InChI=1S/C15H16BrNO2/c16-11-5-6-14-12(7-11)15-17(9-19-14)13-4-2-1-3-10(13)8-18-15/h1-2,5-7,10,13,15H,3-4,8-9H2/t10-,13+,15+/m1/s1
InChIKey OBLMLSDACGRQPZ-DGFSRKRXSA-N
Instrument Name Jeol JMS D300/JMA-2000H
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290091113
Molecular Weight 322.202 g/mol
SMILES [C@@]12(CO[C@@]3(N([C@@]2([H])CC=CC1)COc1c3cc(cc1)Br)[H])[H]
SPLASH splash10-01vo-9032000000-c2299af7ed606ceb97be
Source of Spectrum RCM-9-1036-5
Wiley ID 1835782