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(rac)-3-isopropyl-11,11b-dimethyl-2,3,3a,6,11,11b-hexahydro-1H-azuleno[4,5-b]indole
SpectraBase Compound ID I4uS6rssFZ7
InChI InChI=1S/C21H27N/c1-14(2)15-12-13-21(3)18(15)10-7-9-17-16-8-5-6-11-19(16)22(4)20(17)21/h5-8,10-11,14-15,18H,9,12-13H2,1-4H3
InChIKey CJZNXQGJKJTVTR-UHFFFAOYSA-N
Mol Weight 293.45 g/mol
Molecular Formula C21H27N
Exact Mass 293.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0DIqj3AePI
Name (rac)-3-isopropyl-11,11b-dimethyl-2,3,3a,6,11,11b-hexahydro-1H-azuleno[4,5-b]indole
Appearance Yellow oil
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Exact Mass 293.214349873 u
Formula C21H27N
InChI InChI=1S/C21H27N/c1-14(2)15-12-13-21(3)18(15)10-7-9-17-16-8-5-6-11-19(16)22(4)20(17)21/h5-8,10-11,14-15,18H,9,12-13H2,1-4H3
InChIKey CJZNXQGJKJTVTR-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803248
SMILES C1(CCC2(C1C=CCC1=C2N(C2=C1C=CC=C2)C)C)C(C)C
SPLASH splash10-0006-0090000000-d4310a3456a041e4a1d9
Sample Comments Minor diastereomer, dr = 10:3:1
Source of Spectrum QE-24-SM15-15-minor 1 (DOI: 10.1002/chem.201803248)
Thin-Layer Chromatography 0.25 (petroleum ether, 100%)
Wiley ID 1906048