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Ethyl (1R,3S)-1-ethyl-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID FQGBtcwfEwo
InChI InChI=1S/C18H19F3N2O3/c1-3-13-15-11(10-7-5-6-8-12(10)22-15)9-14(16(24)26-4-2)23(13)17(25)18(19,20)21/h5-8,13-14,22H,3-4,9H2,1-2H3/t13-,14+/m1/s1
InChIKey MAEDHCXJQVEDDH-KGLIPLIRSA-N
Mol Weight 368.36 g/mol
Molecular Formula C18H19F3N2O3
Exact Mass 368.134777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7lTdaGcwdE
Name Ethyl (1R,3S)-1-ethyl-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F3N2O3
InChI InChI=1S/C18H19F3N2O3/c1-3-13-15-11(10-7-5-6-8-12(10)22-15)9-14(16(24)26-4-2)23(13)17(25)18(19,20)21/h5-8,13-14,22H,3-4,9H2,1-2H3/t13-,14+/m1/s1
InChIKey MAEDHCXJQVEDDH-KGLIPLIRSA-N
Instrument Name HP G1800A GCD or VG 12-250
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19970422)11_7_762
Molecular Weight 368.356 g/mol
SMILES [nH]1c2c(c3C[C@](N([C@@](c13)(CC)[H])C(=O)C(F)(F)F)(C(=O)OCC)[H])cccc2
SPLASH splash10-014i-1942000000-817358cd687ffd001c1e
Source of Spectrum RCM-11-766-4j-a
Wiley ID 1837606