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2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester
SpectraBase Compound ID 7juJ85pokKf
InChI InChI=1S/C23H24F3N3O5/c1-3-33-20(30)15(21(31)34-4-2)9-10-18-19-16(14-7-5-6-8-17(14)28-19)11-13(12-27)29(18)22(32)23(24,25)26/h5-8,13,15,18,28H,3-4,9-11H2,1-2H3/t13-,18-/m0/s1
InChIKey ZVIJXRWLFJNESF-UGSOOPFHSA-N
Mol Weight 479.46 g/mol
Molecular Formula C23H24F3N3O5
Exact Mass 479.166805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr02nrrI0a6
Name 2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoro-1-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioic acid diethyl ester
CAS Registry Number 117626-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24F3N3O5
InChI InChI=1S/C23H24F3N3O5/c1-3-33-20(30)15(21(31)34-4-2)9-10-18-19-16(14-7-5-6-8-17(14)28-19)11-13(12-27)29(18)22(32)23(24,25)26/h5-8,13,15,18,28H,3-4,9-11H2,1-2H3/t13-,18-/m0/s1
InChIKey ZVIJXRWLFJNESF-UGSOOPFHSA-N
Molecular Weight 479.456 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@@](C2)(C#N)[H])C(C(F)(F)F)=O)(CCC(C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-0006-0191200000-79b6a92ea4b74a10007c
Source of Spectrum C-111-307-25
Synonyms 2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydro-$b-carbolin-1-yl]ethyl]malonic acid diethyl ester Diethyl 2-[2-[(1S,3S)-3-cyano-2-(2,2,2-trifluoroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioate Diethyl 2-[2-[(1S,3S)-3-cyano-2-[2,2,2-tris(fluoranyl)ethanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]ethyl]propanedioate
Wiley ID 1394967