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(S)-6a-methyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole
SpectraBase Compound ID 8qAWlCrNYmG
InChI InChI=1S/C17H17N/c1-17-11-10-12-6-2-3-7-13(12)16(17)18-15-9-5-4-8-14(15)17/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t17-/m0/s1
InChIKey NFWBLRFDRAXTFN-KRWDZBQOSA-N
Mol Weight 235.33 g/mol
Molecular Formula C17H17N
Exact Mass 235.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40b5X9TDuNq
Name (S)-6a-methyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole
Appearance Yellow oil
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Exact Mass 235.136099551 u
Formula C17H17N
InChI InChI=1S/C17H17N/c1-17-11-10-12-6-2-3-7-13(12)16(17)18-15-9-5-4-8-14(15)17/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t17-/m0/s1
InChIKey NFWBLRFDRAXTFN-KRWDZBQOSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602932
Molecular Weight 235.330 g/mol
Optical Rotation [a]D25 = -40 (c = 0.47, CH2Cl2)
Quality 62
Reported Formula C17H17N
SMILES C1=CC2=C(C=C1)C=C[C@@]1(C2=NC2=C1CCCC2)C
SPLASH splash10-0079-0290000000-6251971bc24faed90a78
Sample Comments er = 98:2
Source of Spectrum ACI-55-SM7-4a (DOI: 10.1002/anie.201602932)
Wiley ID 1904471