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(1S,3R,4R,6S)-3-[(2R,3aS,6aR)-Hexahydrofuran[2,3-b]furan-2-yl]-6-Isopropenyl-3,4-dimethyl-2-oxo-1-(3-oxobutyl)cyclohexanecarbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,3R,4R,6S)-3-[(2R,3aS,6aR)-Hexahydrofuran[2,3-b]furan-2-yl]-6-Isopropenyl-3,4-dimethyl-2-oxo-1-(3-oxobutyl)cyclohexanecarbonitrile
SpectraBase Compound ID IqVqoIwVON2
InChI InChI=1S/C22H31NO4/c1-13(2)17-10-14(3)21(5,18-11-16-7-9-26-19(16)27-18)20(25)22(17,12-23)8-6-15(4)24/h14,16-19H,1,6-11H2,2-5H3/t14-,16+,17+,18-,19-,21-,22-/m1/s1
InChIKey LKBXZGOYUUFKQX-JQNJJCLUSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hsaIjcZ0k8
Name (1S,3R,4R,6S)-3-[(2R,3aS,6aR)-Hexahydrofuran[2,3-b]furan-2-yl]-6-Isopropenyl-3,4-dimethyl-2-oxo-1-(3-oxobutyl)cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-13(2)17-10-14(3)21(5,18-11-16-7-9-26-19(16)27-18)20(25)22(17,12-23)8-6-15(4)24/h14,16-19H,1,6-11H2,2-5H3/t14-,16+,17+,18-,19-,21-,22-/m1/s1
InChIKey LKBXZGOYUUFKQX-JQNJJCLUSA-N
Molecular Weight 373.493 g/mol
SMILES [C@]1(C([C@]([C@@]2(O[C@]3(OCC[C@]3(C2)[H])[H])[H])(C)[C@@](C[C@]1(C(=C)C)[H])(C)[H])=O)(C#N)CCC(=O)C
SPLASH splash10-03di-5900000000-8ade86135a076a5d75bc
Source of Spectrum F-56-2089-29
Wiley ID 856360