3-cyano-2-(trifluoroacetyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, ethyl ester

SpectraBase Compound ID	Jei41w1uE0B
InChI	InChI=1S/C12H13F3N2O3/c1-2-20-10(19)11(6-16)7-3-4-8(5-7)17(11)9(18)12(13,14)15/h7-8H,2-5H2,1H3
InChIKey	CADOHWBSGWKMQP-UHFFFAOYSA-N Google Search
Mol Weight	290.24 g/mol
Molecular Formula	C12H13F3N2O3
Exact Mass	290.087827 g/mol

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SpectraBase Spectrum ID	DLLTl6LuzMp
Name	3-CYANO-2-(TRIFLUOROACETYL)-2-AZABICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID, ETHYL ESTER
Source of Sample	C. Morin, National Museum of Natural History, Paris, France
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13F3N2O3
InChI	InChI=1S/C12H13F3N2O3/c1-2-20-10(19)11(6-16)7-3-4-8(5-7)17(11)9(18)12(13,14)15/h7-8H,2-5H2,1H3
InChIKey	CADOHWBSGWKMQP-UHFFFAOYSA-N
Literature Reference	TETRAHEDRON LETT. 23, 3681(1982) Abstract-Chemical Abstracts= 98, 89012(1983)
Melting Point	56C
Molecular Weight	290.247009
Synonyms	2-AZABICYCLO/2.2.1/HEPTANE- 3-CARBOXYLIC ACID, 3-CYANO-2-/TRI- FLUOROACETYL/-, ETHYL ESTER
Technique	CAPILLARY CELL: MELT (LIQUID PHASE)