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4,7-Methano-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID GP4eNwgLqIP
InChI InChI=1S/C10H14O3/c1-10(2)12-8-5-3-6(7(11)4-5)9(8)13-10/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,8+,9-/m1/s1
InChIKey XLJUISVQRGAJSM-CRYJXSNHSA-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 2xUCkOm39zX
Name 4,7-Methano-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
CAS Registry Number 79307-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-10(2)12-8-5-3-6(7(11)4-5)9(8)13-10/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,8+,9-/m1/s1
InChIKey XLJUISVQRGAJSM-CRYJXSNHSA-N
Molecular Weight 182.219 g/mol
SMILES [C@@]12([C@@]3(C(=O)C[C@@]([C@@]2(OC(O1)(C)C)[H])([H])C3)[H])[H]
SPLASH splash10-05r3-9500000000-75d1d4c301abe94425cd
Source of Spectrum KC-1986-395-1
Synonyms (1R,2S,6R,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.0(2,6)]decan-8-one 5,exo,6-exo-(isopropylidenedioxy)bicyclo[2.2.1]heptan-2-one 5-exo,6-exo-(isopropylidenedioxy)bicyclo[2.2.1]heptan-2-ol
Wiley ID 1178488