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[1,2,4]Oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylic acid, 2-(1,1-dimethylethyl)-5,6,11,11b-tetrahydro-, ethyl ester, cis-
SpectraBase Compound ID GaZfAZk7vjB
InChI InChI=1S/C19H23N3O3/c1-5-24-17(23)14-10-12-11-8-6-7-9-13(11)20-15(12)16-21-18(19(2,3)4)25-22(14)16/h6-9,14,16,20H,5,10H2,1-4H3/t14-,16-/m1/s1
InChIKey PUHHQCQNLFVQAJ-GDBMZVCRSA-N
Mol Weight 341.41 g/mol
Molecular Formula C19H23N3O3
Exact Mass 341.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95wU9jv8EuW
Name [1,2,4]Oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylic acid, 2-(1,1-dimethylethyl)-5,6,11,11b-tetrahydro-, ethyl ester, cis-
Alternate Name(s) 5-Ethoxycarbonyl-5,6-dihydro-2-(2-methylprop-2-yl)-.beta.-carbolino[1,2-e]isofurazan Ethyl (5R,11bR)-2-tert-butyl-5,6,11,11b-tetrahydro[1,2,4]oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylate
CAS Registry Number 121994-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O3
InChI InChI=1S/C19H23N3O3/c1-5-24-17(23)14-10-12-11-8-6-7-9-13(11)20-15(12)16-21-18(19(2,3)4)25-22(14)16/h6-9,14,16,20H,5,10H2,1-4H3/t14-,16-/m1/s1
InChIKey PUHHQCQNLFVQAJ-GDBMZVCRSA-N
Molecular Weight 341.411 g/mol
SMILES [nH]1c2ccccc2c2C[C@@](N3[C@](c12)(N=C(O3)C(C)(C)C)[H])(C(=O)OCC)[H]
SPLASH splash10-000i-0940000000-969f6c487e053685efe4
Source of Spectrum F-44-6500-17
Wiley ID 1335935