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1(3H)-Isobenzofuranone, 3a,4,5,7a-tetrahydro-4-hydroxy-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID KoqYjW71Bli
InChI InChI=1S/C10H14O3/c1-9-5-3-4-7(11)10(9,2)6-13-8(9)12/h3,5,7,11H,4,6H2,1-2H3
InChIKey OJIVYGKPLDUBGL-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MD8TAW7zkc
Name 1(3H)-Isobenzofuranone, 3a,4,5,7a-tetrahydro-4-hydroxy-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+-.)-
Alternate Name(s) 4-Hydroxy-3a,7a-dimethyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3H)-one 1(3H)-Isobenzofuranone, 3a,4,5,7a-tetrahydro-4-hydroxy-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+/-.)- 3a,7a-dimethyl-4-oxidanyl-4,5-dihydro-3H-2-benzofuran-1-one 4-Hydroxy-3a,7a-dimethyl-4,5-dihydro-3H-2-benzofuran-1-one 4-Hydroxy-3a,7a-dimethyl-4,5-dihydro-3H-isobenzofuran-1-one
CAS Registry Number 54346-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-9-5-3-4-7(11)10(9,2)6-13-8(9)12/h3,5,7,11H,4,6H2,1-2H3
InChIKey OJIVYGKPLDUBGL-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES OC1C2(C(C(OC2)=O)(C=CC1)C)C
SPLASH splash10-0a4i-9700000000-dd5fe46b373f8cebc83a
Source of Spectrum H-57-53-17
Wiley ID 1178416