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Methyl (1R,3S)-1-ethyl-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID 4b1nzFtzIWl
InChI InChI=1S/C17H17F3N2O3/c1-3-12-14-10(9-6-4-5-7-11(9)21-14)8-13(15(23)25-2)22(12)16(24)17(18,19)20/h4-7,12-13,21H,3,8H2,1-2H3/t12-,13+/m1/s1
InChIKey NOXGBDHTLIRXCR-OLZOCXBDSA-N
Mol Weight 354.33 g/mol
Molecular Formula C17H17F3N2O3
Exact Mass 354.119127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqasGOJZJIM
Name Methyl (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 C17H17F3N2O3
InChI InChI=1S/C17H17F3N2O3/c1-3-12-14-10(9-6-4-5-7-11(9)21-14)8-13(15(23)25-2)22(12)16(24)17(18,19)20/h4-7,12-13,21H,3,8H2,1-2H3/t12-,13+/m1/s1
InChIKey NOXGBDHTLIRXCR-OLZOCXBDSA-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 354.329 g/mol
SMILES [nH]1c2[C@](N([C@@](Cc2c2c1cccc2)(C(=O)OC)[H])C(=O)C(F)(F)F)(CC)[H]
SPLASH splash10-014i-2933000000-507a985c135e0292469a
Source of Spectrum RCM-11-766-4i-a
Wiley ID 1837605