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(R)-Ethyl 2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
SpectraBase Compound ID DAR0RSyZzL1
InChI InChI=1S/C21H19F3N2O4/c1-2-29-18(27)20(21(22,23)24,16-12-25-17-11-7-6-10-15(16)17)26-19(28)30-13-14-8-4-3-5-9-14/h3-12,25H,2,13H2,1H3,(H,26,28)/t20-/m1/s1
InChIKey CFNJYSCVOXZSPH-HXUWFJFHSA-N
Mol Weight 420.39 g/mol
Molecular Formula C21H19F3N2O4
Exact Mass 420.129692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Frl4wJ2vVO5
Name (R)-Ethyl 2-{[(benzyloxy)carbonyl]amino}-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
Alternate Name(s) (R)-ethyl 2-(((benzyloxy)carbonyl)amino)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3N2O4
InChI InChI=1S/C21H19F3N2O4/c1-2-29-18(27)20(21(22,23)24,16-12-25-17-11-7-6-10-15(16)17)26-19(28)30-13-14-8-4-3-5-9-14/h3-12,25H,2,13H2,1H3,(H,26,28)/t20-/m1/s1
InChIKey CFNJYSCVOXZSPH-HXUWFJFHSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 420.388 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](c1c2c(cccc2)[nH]c1)(C(OCC)=O)C(F)(F)F
SPLASH splash10-006x-8125900000-53e805db9565a85fe143
Source of Spectrum A1-13-1044/SMS3-4b
Wiley ID 1752822