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3-[.alpha.-(Methoxycarbonyl)ethyl]-6-[2'-(1",2",5",5"-tetramethyl-perhydro-9"-ene-naphthalene)ethyl]-1,2-dioxa-6-methylcyclohexane
SpectraBase Compound ID ICmtnlzB8Zd
InChI InChI=1S/C25H42O4/c1-17-10-11-19-20(9-8-13-23(19,3)4)25(17,6)16-15-24(5)14-12-21(28-29-24)18(2)22(26)27-7/h17-18,21H,8-16H2,1-7H3
InChIKey GBROQENMXFBRKG-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHUriTA8QMR
Name 3-[.alpha.-(Methoxycarbonyl)ethyl]-6-[2'-(1",2",5",5"-tetramethyl-perhydro-9"-ene-naphthalene)ethyl]-1,2-dioxa-6-methylcyclohexane
Alternate Name(s) Cyclic peroxide methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-17-10-11-19-20(9-8-13-23(19,3)4)25(17,6)16-15-24(5)14-12-21(28-29-24)18(2)22(26)27-7/h17-18,21H,8-16H2,1-7H3
InChIKey GBROQENMXFBRKG-UHFFFAOYSA-N
Molecular Weight 406.607 g/mol
SMILES C12=C(C(CCC2)(C)C)CCC(C1(CCC1(OOC(C(C(=O)OC)C)CC1)C)C)C
SPLASH splash10-0006-0900300000-ce6647c12f0c049a9d03
Source of Spectrum G4-54-195-10
Wiley ID 1702024