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3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-benzyl-3-methylbutanoate
SpectraBase Compound ID DS4R35YgWGS
InChI InChI=1S/C26H38O4/c1-16(2)20(15-19-11-9-8-10-12-19)22(27)28-23-25(7)14-13-21(24(25,5)6)26(23)29-17(3)18(4)30-26/h8-12,16-18,20-21,23H,13-15H2,1-7H3/t17-,18+,20?,21-,23-,25-,26-/m0/s1
InChIKey OJBHJDUQCOKGNI-PBTGJSEDSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 690PfAw7Sxe
Name 3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-benzyl-3-methylbutanoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-16(2)20(15-19-11-9-8-10-12-19)22(27)28-23-25(7)14-13-21(24(25,5)6)26(23)29-17(3)18(4)30-26/h8-12,16-18,20-21,23H,13-15H2,1-7H3/t17-,18+,20?,21-,23-,25-,26-/m0/s1
InChIKey OJBHJDUQCOKGNI-PBTGJSEDSA-N
Molecular Weight 414.586 g/mol
SMILES [C@]12([C@]([C@@]3(C)C([C@@]2(CC3)[H])(C)C)(OC(C(Cc2ccccc2)C(C)C)=O)[H])O[C@](C)([C@@](O1)(C)[H])[H]
SPLASH splash10-0006-9000000000-73e8ba712eb85e209e6a
Source of Spectrum SK-31-810-5
Wiley ID 881779