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SpectraBase Compound ID | ETbl1c2HqrJ |
---|---|
InChI | InChI=1S/C5H6F3NO3/c1-12-4(11)2(9)3(10)5(6,7)8/h2H,9H2,1H3 |
InChIKey | CXXDMDXENVHENF-UHFFFAOYSA-N |
Mol Weight | 185.1 g/mol |
Molecular Formula | C5H6F3NO3 |
Exact Mass | 185.029978 g/mol |
SpectraBase Spectrum ID | J5csFDxjxZ5 |
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Name | BUTANOIC ACID, 2-AMINO-4,4,4-TRIFLUORO-3-OXO-, METHYL ESTER |
Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula | C5H6NO3F3 |
InChI | InChI=1S/C5H6F3NO3/c1-12-4(11)2(9)3(10)5(6,7)8/h2H,9H2,1H3 |
InChIKey | CXXDMDXENVHENF-UHFFFAOYSA-N |
Instrument Name | CH4 |
Molecular Weight | 185.0298 |
SMILES | NC(C(OC)=O)C(=O)C(F)(F)F |
SPLASH | splash10-004i-9700000000-ac768180b3f7cc0f8c7f |
Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |