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Isothebaine
SpectraBase Compound ID CAQRkODJNNj
InChI InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3
InChIKey RQCOQZNIQLKGTN-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XWJgZW0avc
Name Isothebaine
Alternate Name(s) 2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
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Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3
InChIKey RQCOQZNIQLKGTN-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES Oc1c-2c3C(N(C)CCc3cc1OC)Cc1cccc(c21)OC
SPLASH splash10-03di-0079000000-84fb437a41d93fa4db46
Source of Spectrum X2-46-764-31
Wiley ID 1601294