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Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-(2-pyridinylamino)propanoate
SpectraBase Compound ID 4y203Xnqun4
InChI InChI=1S/C13H16F3N3O4/c1-3-22-10(20)12(13(14,15)16,19-11(21)23-4-2)18-9-7-5-6-8-17-9/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,21)
InChIKey CEFBLYSXNPNUSN-UHFFFAOYSA-N
Mol Weight 335.28 g/mol
Molecular Formula C13H16F3N3O4
Exact Mass 335.10929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BaTZsJbpog
Name Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-(2-pyridinylamino)propanoate
CAS Registry Number 298687-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16F3N3O4
InChI InChI=1S/C13H16F3N3O4/c1-3-22-10(20)12(13(14,15)16,19-11(21)23-4-2)18-9-7-5-6-8-17-9/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,21)
InChIKey CEFBLYSXNPNUSN-UHFFFAOYSA-N
Molecular Weight 335.283 g/mol
SMILES N(C(C(F)(F)F)(Nc1ncccc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-03fu-7490000000-898a7030f703c136cbef
Source of Spectrum AD-0-2532-0
Synonyms 2-(carbethoxyamino)-3,3,3-trifluoro-2-(2-pyridylamino)propionic acid ethyl ester 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(2-pyridinylamino)propanoic acid ethyl ester Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(2-pyridylamino)propanoate Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate Ethyl 2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)-2-(pyridin-2-ylamino)propanoate Propanoic acid, 2-ethoxycarbonylamino-3,3,3-trifluoro-2-(2-pyridylamino)-, ethyl ester
Wiley ID 1430044