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Ethyl 2-([(benzyloxy)carbonyl]amino)-3,3,3-trifluoropropanoate
SpectraBase Compound ID BtqeUeGRLrB
InChI InChI=1S/C13H14F3NO4/c1-2-20-11(18)10(13(14,15)16)17-12(19)21-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19)
InChIKey SMCDAJVQRNYHRN-UHFFFAOYSA-N
Mol Weight 305.25 g/mol
Molecular Formula C13H14F3NO4
Exact Mass 305.087492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pN2cTHLKdU
Name Ethyl 2-([(benzyloxy)carbonyl]amino)-3,3,3-trifluoropropanoate
Alternate Name(s) 2-(benzyloxycarbonylamino)-3,3,3-trifluoro-propionic acid ethyl ester 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoate Ethyl 3,3,3-tris(fluoranyl)-2-(phenylmethoxycarbonylamino)propanoate N-(Benzyloxycarbonyl)-3,3,3-trifluoroalanine ethyl ester
CAS Registry Number 134356-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3NO4
InChI InChI=1S/C13H14F3NO4/c1-2-20-11(18)10(13(14,15)16)17-12(19)21-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19)
InChIKey SMCDAJVQRNYHRN-UHFFFAOYSA-N
Molecular Weight 305.253 g/mol
SMILES N(C(OCc1ccccc1)=O)C(C(F)(F)F)C(=O)OCC
SPLASH splash10-052f-9400000000-8c22f2bcc8c064aac298
Wiley ID 1468021