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METHYL-3,4-O-ISOPROPYLIDENE-(-)-SHIKIMATE

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METHYL-3,4-O-ISOPROPYLIDENE-(-)-SHIKIMATE
SpectraBase Compound ID EKHxsVqeV87
InChI InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h5,7-9,12H,4H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey BPQMQIJLKGETOF-HLTSFMKQSA-N
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEaMPmrCeTG
Name (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester
Alternate Name(s) Methyl (3aR,7R,7aS)-2,2-dimethyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Methyl (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
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Formula C11H16O5
InChI InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h5,7-9,12H,4H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey BPQMQIJLKGETOF-HLTSFMKQSA-N
Molecular Weight 228.244 g/mol
SMILES O[C@]1([C@]2([C@@](C=C(C(=O)OC)C1)(OC(C)(C)O2)[H])[H])[H]
SPLASH splash10-0a4l-9300000000-5e5743d980491f88f6ba
Source of Spectrum J-57-5800-2
Wiley ID 1229396