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(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate

View entire compound with spectra: 1 MS (GC)

(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
SpectraBase Compound ID ibzkavW2mt
InChI InChI=1S/C18H20ClF3N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey UCYGBYVWRRZJNX-QGZVFWFLSA-N
Mol Weight 420.82 g/mol
Molecular Formula C18H20ClF3N2O4
Exact Mass 420.106369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzBP4vKFU3
Name (R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20ClF3N2O4
InChI InChI=1S/C18H20ClF3N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey UCYGBYVWRRZJNX-QGZVFWFLSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 420.816 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](c1c2c(ccc(c2)Cl)[nH]c1)(C(=O)OCC)C(F)(F)F
SPLASH splash10-05fr-8062900000-4ab8ba0fe19ee6561582
Source of Spectrum A1-13-1044/SMS5-4f
Synonyms (R)-ethyl 2-((tert-butoxycarbonyl)amino)-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
Wiley ID 1752826