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(R)-6a-methyl-8,8-dipropyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole
SpectraBase Compound ID 9UJhjRPvhQA
InChI InChI=1S/C23H29N/c1-4-12-23(13-5-2)15-11-20-19(16-23)22(3)14-10-17-8-6-7-9-18(17)21(22)24-20/h6-10,14H,4-5,11-13,15-16H2,1-3H3/t22-/m1/s1
InChIKey KJPWQOFKTXNBBQ-JOCHJYFZSA-N
Mol Weight 319.49 g/mol
Molecular Formula C23H29N
Exact Mass 319.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CElxvWrFWJ
Name (R)-6a-methyl-8,8-dipropyl-6a,8,9,10-tetrahydro-7H-benzo[a]carbazole
Appearance Yellow oil
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Exact Mass 319.229999938 u
Formula C23H29N
InChI InChI=1S/C23H29N/c1-4-12-23(13-5-2)15-11-20-19(16-23)22(3)14-10-17-8-6-7-9-18(17)21(22)24-20/h6-10,14H,4-5,11-13,15-16H2,1-3H3/t22-/m1/s1
InChIKey KJPWQOFKTXNBBQ-JOCHJYFZSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602932
Molecular Weight 319.492 g/mol
Optical Rotation [a]D25 = +67 (c = 1.3, CH2Cl2)
Quality 37
Reported Formula C23H29N
SMILES C1=CC2=C(C=C1)C=C[C@]1(C2=NC2=C1CC(CC2)(CCC)CCC)C
SPLASH splash10-0006-0934000000-ef319c0e9db4ab752056
Sample Comments er = 97:3
Source of Spectrum ACI-55-SM8-4c (DOI: 10.1002/anie.201602932)
Wiley ID 1904473