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(2R,4R,8R)-2,8-Diethoxy-4,5-bis(trifluoromethyl)-1-azabicyclo[4.2.0]oct-5-ene-4-carbonitrile
SpectraBase Compound ID IwjzAWKBhB8
InChI InChI=1S/C14H16F6N2O2/c1-3-23-9-5-8-11(13(15,16)17)12(7-21,14(18,19)20)6-10(22(8)9)24-4-2/h9-10H,3-6H2,1-2H3/t9-,10-,12+/m1/s1
InChIKey LCHHMVNHOLVPPX-FOGDFJRCSA-N
Mol Weight 358.28 g/mol
Molecular Formula C14H16F6N2O2
Exact Mass 358.111597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYtGOhcjnEP
Name (2R,4R,8R)-2,8-Diethoxy-4,5-bis(trifluoromethyl)-1-azabicyclo[4.2.0]oct-5-ene-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F6N2O2
InChI InChI=1S/C14H16F6N2O2/c1-3-23-9-5-8-11(13(15,16)17)12(7-21,14(18,19)20)6-10(22(8)9)24-4-2/h9-10H,3-6H2,1-2H3/t9-,10-,12+/m1/s1
InChIKey LCHHMVNHOLVPPX-FOGDFJRCSA-N
Literature Reference DOI 10.1002/hlca.201200047
Molecular Weight 358.284 g/mol
SMILES C(F)(F)(F)C=1[C@](C[C@@](OCC)(N2[C@@](CC12)(OCC)[H])[H])(C#N)C(F)(F)F
SPLASH splash10-0kbr-7987000000-f15bfe3e11f345cdf8ef
Source of Spectrum H-95-680-7(trans_a)
Wiley ID 1786261