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(1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxa-bicyclo[4.1.0]heptane-2,3,4-triyl Triacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxa-bicyclo[4.1.0]heptane-2,3,4-triyl Triacetate
SpectraBase Compound ID 86qvxc6B0RK
InChI InChI=1S/C21H29N3O9/c1-6-7-8-15-9-24(23-22-15)16-17(30-12(3)26)18(31-13(4)27)20(32-14(5)28)21(19(16)33-21)10-29-11(2)25/h9,16-20H,6-8,10H2,1-5H3/t16-,17+,18-,19-,20+,21-/m1/s1
InChIKey NERXIBDICHDLRH-WCAYHLDQSA-N
Mol Weight 467.48 g/mol
Molecular Formula C21H29N3O9
Exact Mass 467.19038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuB6jN5WxEp
Name (1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxa-bicyclo[4.1.0]heptane-2,3,4-triyl Triacetate
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Formula C21H29N3O9
InChI InChI=1S/C21H29N3O9/c1-6-7-8-15-9-24(23-22-15)16-17(30-12(3)26)18(31-13(4)27)20(32-14(5)28)21(19(16)33-21)10-29-11(2)25/h9,16-20H,6-8,10H2,1-5H3/t16-,17+,18-,19-,20+,21-/m1/s1
InChIKey NERXIBDICHDLRH-WCAYHLDQSA-N
Molecular Weight 467.475 g/mol
SMILES [C@]12([C@@]([C@]([n]3nnc(c3)CCCC)([C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])(O2)[H])COC(=O)C
SPLASH splash10-0006-9500000000-3350a8c04992f13fb531
Source of Spectrum U1-2014-3735-16c
Synonyms (1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triyl Triacetate
Wiley ID 1740700