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(6R,7aR,11aS,12aR)-6-Phenyl-7a,8,9,10,11,11a-hexahydro-7H,12aH-5,12-dioxa-6a-aza-benzo[a]anthracene
SpectraBase Compound ID 7sAws5dfsvB
InChI InChI=1S/C21H23NO2/c1-2-8-15(9-3-1)20-22-14-16-10-4-6-12-18(16)23-21(22)17-11-5-7-13-19(17)24-20/h1-3,5,7-9,11,13,16,18,20-21H,4,6,10,12,14H2/t16-,18+,20-,21-/m1/s1
InChIKey GFNPIYQUFZGJBR-XRULBBBTSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1e9raxzt9Yy
Name (6R,7aR,11aS,12aR)-6-Phenyl-7a,8,9,10,11,11a-hexahydro-7H,12aH-5,12-dioxa-6a-aza-benzo[a]anthracene
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Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-2-8-15(9-3-1)20-22-14-16-10-4-6-12-18(16)23-21(22)17-11-5-7-13-19(17)24-20/h1-3,5,7-9,11,13,16,18,20-21H,4,6,10,12,14H2/t16-,18+,20-,21-/m1/s1
InChIKey GFNPIYQUFZGJBR-XRULBBBTSA-N
Instrument Name Jeol JMS D300/JMA-2000H
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290091113
Molecular Weight 321.420 g/mol
SMILES C1C[C@]2([C@](CC1)(O[C@]1(N(C2)[C@](Oc2c1cccc2)(c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0l6u-9654000000-1c2f6ededbbd7f2b786d
Source of Spectrum RCM-9-1036-8
Wiley ID 1835785