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Oxireno[e]-1,3-benzodioxole-5-carboxylic acid, 3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, methyl ester, (3a.alpha.,5a.beta.,6a.beta.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID ADUEZBr8DUA
InChI InChI=1S/C11H14O5/c1-11(2)15-6-4-5(10(12)13-3)7-9(14-7)8(6)16-11/h4,6-9H,1-3H3/t6-,7-,8-,9-/m0/s1
InChIKey FVHRXRIHABVYAK-JBDRJPRFSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5Cv2SU1jjU
Name Oxireno[e]-1,3-benzodioxole-5-carboxylic acid, 3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, methyl ester, (3a.alpha.,5a.beta.,6a.beta.,6b.alpha.)-(.+-.)-
Alternate Name(s) 5.beta.,6.beta.-epoxy-3.alpha.,4.alpha.-isopropylidenedioxycyclohexenoic acid methyl ester Methyl (3aS,5aS,6aS,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-e][1,3]benzodioxole-5-carboxylate
CAS Registry Number 124832-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-11(2)15-6-4-5(10(12)13-3)7-9(14-7)8(6)16-11/h4,6-9H,1-3H3/t6-,7-,8-,9-/m0/s1
InChIKey FVHRXRIHABVYAK-JBDRJPRFSA-N
Molecular Weight 226.228 g/mol
SMILES [C@]12([C@](C(C(=O)OC)=C[C@]3([C@@]2(OC(C)(C)O3)[H])[H])(O1)[H])[H]
SPLASH splash10-014r-0920000000-4558f6318a6a1249e3b7
Source of Spectrum F-46-3991-28
Wiley ID 1227056