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[1,2,4]Oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylic acid, 5,6,11,11b-tetrahydro-2-(trichloromethyl)-, ethyl ester, cis-
SpectraBase Compound ID 6Za8fuApfSl
InChI InChI=1S/C16H14Cl3N3O3/c1-2-24-14(23)11-7-9-8-5-3-4-6-10(8)20-12(9)13-21-15(16(17,18)19)25-22(11)13/h3-6,11,13,20H,2,7H2,1H3/t11-,13-/m1/s1
InChIKey HEVXLLXATPTEQZ-DGCLKSJQSA-N
Mol Weight 402.67 g/mol
Molecular Formula C16H14Cl3N3O3
Exact Mass 401.010074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AS9EeCEHKa
Name [1,2,4]Oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylic acid, 5,6,11,11b-tetrahydro-2-(trichloromethyl)-, ethyl ester, cis-
CAS Registry Number 121994-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14Cl3N3O3
InChI InChI=1S/C16H14Cl3N3O3/c1-2-24-14(23)11-7-9-8-5-3-4-6-10(8)20-12(9)13-21-15(16(17,18)19)25-22(11)13/h3-6,11,13,20H,2,7H2,1H3/t11-,13-/m1/s1
InChIKey HEVXLLXATPTEQZ-DGCLKSJQSA-N
Molecular Weight 402.665 g/mol
SMILES [nH]1c2ccccc2c2C[C@@](N3[C@](c12)(N=C(O3)C(Cl)(Cl)Cl)[H])(C(=O)OCC)[H]
SPLASH splash10-052f-5910000000-a3ba2b236b5cf8ff29be
Source of Spectrum F-44-6501-17
Synonyms 5-Ethoxycarbonyl-5,6-dihydro-2-trichloromethyl-.beta.-carbolino[1,2-e]isofurazan Ethyl (5R,11bR)-2-(trichloromethyl)-5,6,11,11b-tetrahydro[1,2,4]oxadiazolo[2',3':1,2]pyrido[3,4-b]indole-5-carboxylate
Wiley ID 1369886