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2-Ethoxycarbonyl-1,2,3,4-tetrahydro-2-azatriptycene
SpectraBase Compound ID EL0g78kDJz3
InChI InChI=1S/C22H21NO2/c1-2-25-22(24)23-12-11-18-19(13-23)21-16-9-5-3-7-14(16)20(18)15-8-4-6-10-17(15)21/h3-10,20-21H,2,11-13H2,1H3/t20-,21+
InChIKey CVGIJBZCCJOYIA-OYRHEFFESA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VCahs8gS6
Name 2-Ethoxycarbonyl-1,2,3,4-tetrahydro-2-azatriptycene
Alternate Name(s) 2-Ethoxycarbonyl-1,2,3,4-tetrahydro-2-diazatriptycene Ethyl 4-azapentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),9,11,13,15,17,19-heptaene-4-carboxylate
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Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-2-25-22(24)23-12-11-18-19(13-23)21-16-9-5-3-7-14(16)20(18)15-8-4-6-10-17(15)21/h3-10,20-21H,2,11-13H2,1H3/t20-,21+
InChIKey CVGIJBZCCJOYIA-OYRHEFFESA-N
Molecular Weight 331.415 g/mol
SMILES C12=C([C@]3(c4c([C@@]2(c2c3cccc2)[H])cccc4)[H])CCN(C1)C(=O)OCC
SPLASH splash10-0fai-0279000000-b31aedc485f515d544f4
Source of Spectrum HC-17-1053-0
Wiley ID 1328881