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3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl phenoxyacetate
SpectraBase Compound ID 5ZQ9hPs5PBh
InChI InChI=1S/C22H30O5/c1-14-15(2)27-22(26-14)17-11-12-21(5,20(17,3)4)19(22)25-18(23)13-24-16-9-7-6-8-10-16/h6-10,14-15,17,19H,11-13H2,1-5H3/t14-,15+,17-,19-,21-,22-/m0/s1
InChIKey OEIBKCLFANNBGO-NUOCTXJUSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdPd2thzdG3
Name 3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl phenoxyacetate
Comments Less than 3 mono-isotopic peaks
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Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-14-15(2)27-22(26-14)17-11-12-21(5,20(17,3)4)19(22)25-18(23)13-24-16-9-7-6-8-10-16/h6-10,14-15,17,19H,11-13H2,1-5H3/t14-,15+,17-,19-,21-,22-/m0/s1
InChIKey OEIBKCLFANNBGO-NUOCTXJUSA-N
Molecular Weight 374.477 g/mol
SMILES [C@]12([C@]([C@@]3(C)C([C@@]2(CC3)[H])(C)C)(OC(=O)COc2ccccc2)[H])O[C@](C)([C@@](O1)(C)[H])[H]
SPLASH splash10-0a4i-0901000000-4cef8c72b3461e1ba35f
Source of Spectrum SK-31-812-3
Wiley ID 881774