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1(3H)-Isobenzofuranone, 4-(acetyloxy)-3a,4,5,7a-tetrahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID HNmSIT8htv0
InChI InChI=1S/C12H16O4/c1-8(13)16-9-5-4-6-11(2)10(14)15-7-12(9,11)3/h4,6,9H,5,7H2,1-3H3
InChIKey YLKOYDKMJDLRQR-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYcFEzPe7g1
Name 1(3H)-Isobenzofuranone, 4-(acetyloxy)-3a,4,5,7a-tetrahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 54346-07-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(13)16-9-5-4-6-11(2)10(14)15-7-12(9,11)3/h4,6,9H,5,7H2,1-3H3
InChIKey YLKOYDKMJDLRQR-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES CC12C(C)(C(=O)OC2)C=CCC1OC(C)=O
SPLASH splash10-052f-8900000000-4d7e99f0f30ee71e10e9
Source of Spectrum H-57-53-18
Synonyms 3a,7a-Dimethyl-1-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-yl acetate (3a,7a-dimethyl-1-oxidanylidene-4,5-dihydro-3H-2-benzofuran-4-yl) ethanoate (3a,7a-dimethyl-1-oxo-4,5-dihydro-3H-2-benzofuran-4-yl) acetate (3a,7a-dimethyl-1-oxo-4,5-dihydro-3H-isobenzofuran-4-yl) acetate 1(3H)-Isobenzofuranone, 4-(acetyloxy)-3a,4,5,7a-tetrahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+/-.)- Acetic acid (1-keto-3a,7a-dimethyl-4,5-dihydro-3H-isobenzofuran-4-yl) ester Acetic acid (3a,7a-dimethyl-1-oxo-4,5-dihydro-3H-isobenzofuran-4-yl) ester
Wiley ID 1224943