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Methyl 4-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)butanoate
SpectraBase Compound ID 6ycB1iAceHE
InChI InChI=1S/C14H20O4/c1-14(2)17-11-8-4-6-10(13(11)18-14)7-5-9-12(15)16-3/h4,6,8,11,13H,5,7,9H2,1-3H3/t11-,13+/m0/s1
InChIKey IZIMUWAWHYBHDA-WCQYABFASA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8BnCaziKkv
Name Methyl 4-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)butanoate
Alternate Name(s) 4-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]butanoic acid methyl ester Methyl 4-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]butanoate
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-14(2)17-11-8-4-6-10(13(11)18-14)7-5-9-12(15)16-3/h4,6,8,11,13H,5,7,9H2,1-3H3/t11-,13+/m0/s1
InChIKey IZIMUWAWHYBHDA-WCQYABFASA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 252.310 g/mol
SMILES C1(C)(O[C@@]2(C(=CC=C[C@@]2(O1)[H])CCCC(=O)OC)[H])C
SPLASH splash10-08fu-5900000000-3601d8fd78cc5be0533e
Source of Spectrum J-78-7104-10
Wiley ID 1745599