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Ethyl 3,3,3-trifluoro-2-[3-(4-fluorobenzyl)ureido]propionate
SpectraBase Compound ID 887biiA98Bu
InChI InChI=1S/C13H14F4N2O3/c1-2-22-11(20)10(13(15,16)17)19-12(21)18-7-8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3,(H2,18,19,21)
InChIKey ACOXBLKYCWQGBU-UHFFFAOYSA-N
Mol Weight 322.26 g/mol
Molecular Formula C13H14F4N2O3
Exact Mass 322.094055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeN04mMlA2k
Name ETHYL 3,3,3-TRIFLUORO-2-[3-(4-FLUOROBENZYL)UREIDO]PROPIONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14F4N2O3
InChI InChI=1S/C13H14F4N2O3/c1-2-22-11(20)10(13(15,16)17)19-12(21)18-7-8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3,(H2,18,19,21)
InChIKey ACOXBLKYCWQGBU-UHFFFAOYSA-N
Molecular Weight 322.0937
SMILES N(C(NC(C(OCC)=O)C(F)(F)F)=O)Cc1ccc(F)cc1
SPLASH splash10-05fr-5900000000-6f942e60e0310e511c76
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany