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Methyl 3.alpha.,4.apha.-Isopropylidenedioxy-5.beta.-formylcyclohex-1-ene-1-carboxylate
SpectraBase Compound ID FnZBtelXjNL
InChI InChI=1S/C12H16O5/c1-12(2)16-9-5-7(11(14)15-3)4-8(6-13)10(9)17-12/h5-6,8-10H,4H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey SBSMCLAJOBAFEG-KXUCPTDWSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OCdtQtjZ0M
Name Methyl 3.alpha.,4.apha.-Isopropylidenedioxy-5.beta.-formylcyclohex-1-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-12(2)16-9-5-7(11(14)15-3)4-8(6-13)10(9)17-12/h5-6,8-10H,4H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey SBSMCLAJOBAFEG-KXUCPTDWSA-N
Molecular Weight 240.255 g/mol
SMILES C1(=C[C@@]2(OC(C)(C)O[C@@]2([C@](C1)(C=O)[H])[H])[H])C(=O)OC
SPLASH splash10-0a4i-0920000000-d69740a980d1e3d50ea8
Source of Spectrum F-48-8765-0
Synonyms Methyl (3aS,7S,7aR)-7-formyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Wiley ID 1242687