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3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-phenoxy-3-phenylpropanoate
SpectraBase Compound ID Ii4xm5R1IXQ
InChI InChI=1S/C29H36O5/c1-19-20(2)34-29(33-19)24-16-17-28(5,27(24,3)4)26(29)32-25(30)23(18-21-12-8-6-9-13-21)31-22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t19-,20+,23?,24-,26-,28-,29-/m0/s1
InChIKey JKSWHQDGUILSSQ-NMHNGQBJSA-N
Mol Weight 464.6 g/mol
Molecular Formula C29H36O5
Exact Mass 464.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tSpsmZrXTP
Name 3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-phenoxy-3-phenylpropanoate
Comments Less than 3 mono-isotopic peaks
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Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-19-20(2)34-29(33-19)24-16-17-28(5,27(24,3)4)26(29)32-25(30)23(18-21-12-8-6-9-13-21)31-22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t19-,20+,23?,24-,26-,28-,29-/m0/s1
InChIKey JKSWHQDGUILSSQ-NMHNGQBJSA-N
Molecular Weight 464.602 g/mol
SMILES [C@]12([C@]([C@@]3(C)C([C@@]2(CC3)[H])(C)C)(OC(C(Oc2ccccc2)Cc2ccccc2)=O)[H])O[C@](C)([C@@](O1)(C)[H])[H]
SPLASH splash10-0a4i-0900100000-8adb81d2f6f155674275
Source of Spectrum SK-31-814-5
Wiley ID 881769