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endo-Methyl (2R,3R,3aS/R)-2-[1,1-[(1R,2R)-1,2-dicyclohexylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID HEvq7xbHlFS
InChI InChI=1S/C25H41NO5/c1-25(23-20(24(27)28-2)19-15-9-10-16-26(19)31-23)29-21(17-11-5-3-6-12-17)22(30-25)18-13-7-4-8-14-18/h17-23H,3-16H2,1-2H3/t19-,20+,21?,22?,23+,25?/m0/s1
InChIKey CONFVTLCAYKXDB-KPGQSFFDSA-N
Mol Weight 435.6 g/mol
Molecular Formula C25H41NO5
Exact Mass 435.298473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VG7X8nMG4U
Name endo-Methyl (2R,3R,3aS/R)-2-[1,1-[(1R,2R)-1,2-dicyclohexylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
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Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-25(23-20(24(27)28-2)19-15-9-10-16-26(19)31-23)29-21(17-11-5-3-6-12-17)22(30-25)18-13-7-4-8-14-18/h17-23H,3-16H2,1-2H3/t19-,20+,21?,22?,23+,25?/m0/s1
InChIKey CONFVTLCAYKXDB-KPGQSFFDSA-N
Molecular Weight 435.605 g/mol
SMILES [C@@]1(C2(OC(C3CCCCC3)C(O2)C2CCCCC2)C)([C@@]([C@@]2(CCCCN2O1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0a4l-9400000000-352422d7e8f86ba65625
Source of Spectrum KD-12-1754-19
Wiley ID 1634526