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(5aR,6S)-6-Methyl-5aH-benzo[5,6][1,3]oxazino[3,2-a]indol-12(6H)one
SpectraBase Compound ID 5cWAK7Pzzdo
InChI InChI=1S/C16H13NO2/c1-10-11-6-2-4-8-13(11)17-15(18)12-7-3-5-9-14(12)19-16(10)17/h2-10,16H,1H3/t10-,16+/m0/s1
InChIKey BWYXCGBJUDVXQS-MGPLVRAMSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPjYWMN9yqe
Name (5aR,6S)-6-Methyl-5aH-benzo[5,6][1,3]oxazino[3,2-a]indol-12(6H)one
Appearance Yellowish powder
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Exact Mass 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-10-11-6-2-4-8-13(11)17-15(18)12-7-3-5-9-14(12)19-16(10)17/h2-10,16H,1H3/t10-,16+/m0/s1
InChIKey BWYXCGBJUDVXQS-MGPLVRAMSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.201701630
Molecular Weight 251.285 g/mol
Quality 58
SMILES C1=CC=CC2=C1[C@@]([C@@]1(N2C(C2=C(O1)C=CC=C2)=O)[H])(C)[H]
SPLASH splash10-0ue9-0890000000-23ec2a57584ed5b345aa
Sample Comments dr = 3.8:1 (trans/cis)
Source of Spectrum K1-2018-906-4c (DOI: 10.1002/ejoc.201701630)
Thin-Layer Chromatography 0.50 (chloroform)
Wiley ID 1894452