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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5,6,7-tetramethyl-, (3a.alpha.,4.alpha.,7.beta.,7a.alpha.)-
SpectraBase Compound ID KMDZEmTJ4AT
InChI InChI=1S/C12H16O3/c1-5-6(2)8(4)10-9(7(5)3)11(13)15-12(10)14/h7-10H,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKey DLGWVYMGNURIFX-KYXWUPHJSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FrRelYk3Oe
Name 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5,6,7-tetramethyl-, (3a.alpha.,4.alpha.,7.beta.,7a.alpha.)-
CAS Registry Number 39087-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-6(2)8(4)10-9(7(5)3)11(13)15-12(10)14/h7-10H,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKey DLGWVYMGNURIFX-KYXWUPHJSA-N
Molecular Weight 208.257 g/mol
SMILES C1([C@]2([C@@]([C@](C)(C(=C([C@]2(C)[H])C)C)[H])([H])C(O1)=O)[H])=O
SPLASH splash10-0019-0920000000-4435e7dacb2528bfbe41
Source of Spectrum KC-1977-5-560
Synonyms 1,2-(3.alpha.,4,5,6.beta.-tetramethylcyclohex-4-ene) anhydride (3aR,4S,7S,7aS)-4,5,6,7-tetramethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione 1,2-(3.alpha.,4,5,6.alpha.-tetramethylcycylohex-4-ene)anhydride
Wiley ID 1206811