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(3aR,7S,7aS)-7-(formyloxymethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester
SpectraBase Compound ID IHr7BImRfTB
InChI InChI=1S/C13H18O6/c1-13(2)18-10-5-8(12(15)16-3)4-9(6-17-7-14)11(10)19-13/h5,7,9-11H,4,6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKey JNCIRLTUHZSAAV-AXFHLTTASA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZBmsdhTTjB
Name (3aR,7S,7aS)-7-(formyloxymethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester
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Formula C13H18O6
InChI InChI=1S/C13H18O6/c1-13(2)18-10-5-8(12(15)16-3)4-9(6-17-7-14)11(10)19-13/h5,7,9-11H,4,6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKey JNCIRLTUHZSAAV-AXFHLTTASA-N
Molecular Weight 270.281 g/mol
SMILES C1(=C[C@]2(OC(C)(C)O[C@]2([C@@](C1)(COC=O)[H])[H])[H])C(=O)OC
SPLASH splash10-0002-0940000000-3f8016e9b1f494c69671
Source of Spectrum F-48-8772-28
Synonyms Methyl (3aR,7S,7aS)-7-(methanoyloxymethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Wiley ID 1273859