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2,2,2-trifluoroethyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate
SpectraBase Compound ID J1sZyeAFiVJ
InChI InChI=1S/C14H16F3NO4/c1-2-21-13(20)18-11(8-10-6-4-3-5-7-10)12(19)22-9-14(15,16)17/h3-7,11H,2,8-9H2,1H3,(H,18,20)/t11-/m0/s1
InChIKey YWMSKYSQYBNKEH-NSHDSACASA-N
Mol Weight 319.28 g/mol
Molecular Formula C14H16F3NO4
Exact Mass 319.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oirgUJWD0I
Name 2,2,2-trifluoroethyl (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F3NO4
InChI InChI=1S/C14H16F3NO4/c1-2-21-13(20)18-11(8-10-6-4-3-5-7-10)12(19)22-9-14(15,16)17/h3-7,11H,2,8-9H2,1H3,(H,18,20)/t11-/m0/s1
InChIKey YWMSKYSQYBNKEH-NSHDSACASA-N
Instrument Name Hewlett-Packard 5890II-5989A
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(199711)11_17_1835
Molecular Weight 319.280 g/mol
SMILES N(C(=O)OCC)[C@@](Cc1ccccc1)(C(OCC(F)(F)F)=O)[H]
SPLASH splash10-001l-8980000000-6923b4a00f7dd7a8d5c1
Source of Spectrum RCM-11-1837-Fig 2.1
Wiley ID 1837489