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2-Azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylic acid, 1,3,4,5,6,7-hexafluoro-, ethyl ester
SpectraBase Compound ID 4IxmYe8zf1P
InChI InChI=1S/C9H5F6NO2/c1-2-18-7(17)16-6(13)5(12)8(14)3(10)4(11)9(8,16)15/h2H2,1H3
InChIKey ONYBHEWCSXCHIT-UHFFFAOYSA-N
Mol Weight 273.13 g/mol
Molecular Formula C9H5F6NO2
Exact Mass 273.022447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ea1w9zpvZAg
Name 2-Azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylic acid, 1,3,4,5,6,7-hexafluoro-, ethyl ester
CAS Registry Number 83925-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F6NO2
InChI InChI=1S/C9H5F6NO2/c1-2-18-7(17)16-6(13)5(12)8(14)3(10)4(11)9(8,16)15/h2H2,1H3
InChIKey ONYBHEWCSXCHIT-UHFFFAOYSA-N
Molecular Weight 273.134 g/mol
SMILES C12(C(C(F)=C(N2C(=O)OCC)F)(F)C(=C1F)F)F
SPLASH splash10-0ue9-8690000000-ac1763d3f64813cdb004
Source of Spectrum KC-1982-2107-0
Synonyms 2-Ethoxycarbonylhexafluoro-2-azabicyclo[3.2.0]hepta-3,6-diene Ethyl 1,3,4,5,6,7-hexafluoro-2-azabicyclo[3.2.0]hepta-3,6-diene-2-carboxylate
Wiley ID 1276944