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(7aR,11aS,12aR)-2-Bromo-7a,8,9,10,11,11a-hexahydro-7H,12aH-5,12-dioxa-6a-aza-benzo[a]anthracene
SpectraBase Compound ID EliqPelRb87
InChI InChI=1S/C15H18BrNO2/c16-11-5-6-14-12(7-11)15-17(9-18-14)8-10-3-1-2-4-13(10)19-15/h5-7,10,13,15H,1-4,8-9H2/t10-,13+,15-/m1/s1
InChIKey DWJBICMJXYFLFT-RIEGTJTDSA-N
Mol Weight 324.22 g/mol
Molecular Formula C15H18BrNO2
Exact Mass 323.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Bu5JUiXAmY
Name (7aR,11aS,12aR)-2-Bromo-7a,8,9,10,11,11a-hexahydro-7H,12aH-5,12-dioxa-6a-aza-benzo[a]anthracene
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Formula C15H18BrNO2
InChI InChI=1S/C15H18BrNO2/c16-11-5-6-14-12(7-11)15-17(9-18-14)8-10-3-1-2-4-13(10)19-15/h5-7,10,13,15H,1-4,8-9H2/t10-,13+,15-/m1/s1
InChIKey DWJBICMJXYFLFT-RIEGTJTDSA-N
Instrument Name Jeol JMS D300/JMA-2000H
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290091113
Molecular Weight 324.218 g/mol
SMILES C1C[C@]2([C@](CC1)(O[C@]1(N(C2)COc2c1cc(cc2)Br)[H])[H])[H]
SPLASH splash10-006y-9112000000-80cb6dbc8826c9b5084a
Source of Spectrum RCM-9-1036-9
Wiley ID 1835786