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Methyl 5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanoate
SpectraBase Compound ID 8dpi9AEzPN8
InChI InChI=1S/C15H22O4/c1-15(2)18-12-9-6-8-11(14(12)19-15)7-4-5-10-13(16)17-3/h6,8-9,12,14H,4-5,7,10H2,1-3H3/t12-,14+/m0/s1
InChIKey OFIYRSSWWFYKPQ-GXTWGEPZSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iwVeo8vCKt
Name Methyl 5-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)pentanoate
Alternate Name(s) 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentanoic acid methyl ester Methyl 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentanoate
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-15(2)18-12-9-6-8-11(14(12)19-15)7-4-5-10-13(16)17-3/h6,8-9,12,14H,4-5,7,10H2,1-3H3/t12-,14+/m0/s1
InChIKey OFIYRSSWWFYKPQ-GXTWGEPZSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 266.337 g/mol
SMILES C1(O[C@]2(C=CC=C(CCCCC(OC)=O)[C@]2(O1)[H])[H])(C)C
SPLASH splash10-056r-3900000000-d3d5e41a6663ebdb3968
Source of Spectrum J-78-7108-31
Wiley ID 1745615