Debug Info

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_id
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J5csFDxjxZ5
spectrumID
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J5csFDxjxZ5
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Mass Spectrum (GC)
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Butanoic acid, 2-amino-4,4,4-trifluoro-3-oxo-, methyl ester
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
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5csFDxjxZ5
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
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