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(3aR,7aS)-2,2-Dimethyl-3a,7a-dihydro-benzo[1,3]dioxole-4-carboxylic acid prop-2-ynyl ester
SpectraBase Compound ID DzdiqG5tMvy
InChI InChI=1S/C13H14O4/c1-4-8-15-12(14)9-6-5-7-10-11(9)17-13(2,3)16-10/h1,5-7,10-11H,8H2,2-3H3/t10-,11+/m0/s1
InChIKey YVKSOTXAAIFJKJ-WDEREUQCSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n1uf848bbx
Name (3aR,7aS)-2,2-Dimethyl-3a,7a-dihydro-benzo[1,3]dioxole-4-carboxylic acid prop-2-ynyl ester
Alternate Name(s) Prop-2'-ynyl 2,2-dimethyl-3a,7a-dihydrobenzo[d]-(1,3)-dioxole-4-carboxylate (+)-Propargyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d]-[1,3]dioxole-4-carboxylate (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylic acid prop-2-ynyl ester Prop-2-ynyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate (3aR,7aS)-prop-2-yn-1-yl 2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole-4-carboxylate
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Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-4-8-15-12(14)9-6-5-7-10-11(9)17-13(2,3)16-10/h1,5-7,10-11H,8H2,2-3H3/t10-,11+/m0/s1
InChIKey YVKSOTXAAIFJKJ-WDEREUQCSA-N
Literature Reference DOI 10.1039/c4ob01417k
Molecular Weight 234.251 g/mol
SMILES C1(C)(O[C@@]2([C@@](C(=CC=C2)C(=O)OCC#C)(O1)[H])[H])C
SPLASH splash10-006x-6930000000-fa9a577025b3304a563e
Source of Spectrum F5-12-7816-28
Wiley ID 1748296