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(2R,4R,8R)-2,8-Dimethoxy-4,5-bis(trifluoromethyl)-1-azabicyclo[4.2.0]oct-5-ene-4-carbonitrile
SpectraBase Compound ID J0GKJH46x25
InChI InChI=1S/C12H12F6N2O2/c1-21-7-3-6-9(11(13,14)15)10(5-19,12(16,17)18)4-8(22-2)20(6)7/h7-8H,3-4H2,1-2H3/t7-,8-,10+/m1/s1
InChIKey HPXVDIBIJVBVDN-MRTMQBJTSA-N
Mol Weight 330.23 g/mol
Molecular Formula C12H12F6N2O2
Exact Mass 330.080297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dZkiV2rkkD
Name (2R,4R,8R)-2,8-Dimethoxy-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 C12H12F6N2O2
InChI InChI=1S/C12H12F6N2O2/c1-21-7-3-6-9(11(13,14)15)10(5-19,12(16,17)18)4-8(22-2)20(6)7/h7-8H,3-4H2,1-2H3/t7-,8-,10+/m1/s1
InChIKey HPXVDIBIJVBVDN-MRTMQBJTSA-N
Literature Reference DOI 10.1002/hlca.201200047
Molecular Weight 330.230 g/mol
SMILES C(F)(F)(F)C=1[C@](C[C@@](OC)(N2[C@@](CC12)(OC)[H])[H])(C#N)C(F)(F)F
SPLASH splash10-004j-8095000000-cf0fa15515d959a84b2e
Source of Spectrum H-95-680-6(trans_a)
Wiley ID 1786260