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(R)-2-((S)-1-Phenylethylamino)-3,3,3-trifluoropropanyl 4-nitrobenzoate
SpectraBase Compound ID HiOUOQaWcCu
InChI InChI=1S/C18H17F3N2O4/c1-12(13-5-3-2-4-6-13)22-16(18(19,20)21)11-27-17(24)14-7-9-15(10-8-14)23(25)26/h2-10,12,16,22H,11H2,1H3/t12-,16+/m0/s1
InChIKey YEHOFPRTFZSOEF-BLLLJJGKSA-N
Mol Weight 382.34 g/mol
Molecular Formula C18H17F3N2O4
Exact Mass 382.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dh56fbLxaq
Name (R)-2-((S)-1-Phenylethylamino)-3,3,3-trifluoropropanyl 4-nitrobenzoate
Alternate Name(s) (2R)-3,3,3-trifluoro-2-{[(1S)-1-phenylethyl]amino}propyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N2O4
InChI InChI=1S/C18H17F3N2O4/c1-12(13-5-3-2-4-6-13)22-16(18(19,20)21)11-27-17(24)14-7-9-15(10-8-14)23(25)26/h2-10,12,16,22H,11H2,1H3/t12-,16+/m0/s1
InChIKey YEHOFPRTFZSOEF-BLLLJJGKSA-N
Molecular Weight 382.339 g/mol
SMILES N([C@@](C(F)(F)F)(COC(c1ccc(N(=O)=O)cc1)=O)[H])[C@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-1900000000-f40d3fbe4fda6ba02a41
Source of Spectrum QC-8-2936-7
Wiley ID 870245