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1-Nitro-but-3-en-2-yl trifluoroacetate
SpectraBase Compound ID 24rs91XOLop
InChI InChI=1S/C6H6F3NO4/c1-2-4(3-10(12)13)14-5(11)6(7,8)9/h2,4H,1,3H2
InChIKey YBTRHWZTTXNACP-UHFFFAOYSA-N
Mol Weight 213.11 g/mol
Molecular Formula C6H6F3NO4
Exact Mass 213.024892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hm55hlQUyIM
Name 1-Nitro-but-3-en-2-yl trifluoroacetate
CAS Registry Number 116059-67-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6F3NO4
InChI InChI=1S/C6H6F3NO4/c1-2-4(3-10(12)13)14-5(11)6(7,8)9/h2,4H,1,3H2
InChIKey YBTRHWZTTXNACP-UHFFFAOYSA-N
Instrument Name Bruker AM-360
Literature Reference A.J. Bloom, J.M. Mellor, J. Chem. Soc. Perkin I 2737 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported