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(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-3,3,3-trifluoro-2-(6-fluoro-1H-indol-3-yl)propanoate

View entire compound with spectra: 1 MS (GC)

(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-3,3,3-trifluoro-2-(6-fluoro-1H-indol-3-yl)propanoate
SpectraBase Compound ID DnSlOMK1cRJ
InChI InChI=1S/C18H20F4N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-8-10(19)6-7-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey CSJQUQJSZSRWQJ-QGZVFWFLSA-N
Mol Weight 404.36 g/mol
Molecular Formula C18H20F4N2O4
Exact Mass 404.13592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRrgyAi0Bn4
Name (R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-3,3,3-trifluoro-2-(6-fluoro-1H-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F4N2O4
InChI InChI=1S/C18H20F4N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-8-10(19)6-7-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey CSJQUQJSZSRWQJ-QGZVFWFLSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 404.362 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](c1c2c(cc(cc2)F)[nH]c1)(C(=O)OCC)C(F)(F)F
SPLASH splash10-0a4i-8291500000-dc84f8f61f7a3504135f
Source of Spectrum A1-13-1044/SMS8-4k
Synonyms (R)-ethyl 2-((tert-butoxycarbonyl)amino)-3,3,3-trifluoro-2-(6-fluoro-1H-indol-3-yl)propanoate
Wiley ID 1752831