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4,7-Epoxy-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, [3R-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
SpectraBase Compound ID 1f2zn09pB0x
InChI InChI=1S/C9H12O4/c1-9(2)12-7-5-3-4(10)6(11-5)8(7)13-9/h5-8H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKey VLGKFQNFQGLVGQ-CWKFCGSDSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ie1x9B6Nas
Name 4,7-Epoxy-1,3-benzodioxol-5(4H)-one, tetrahydro-2,2-dimethyl-, [3R-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
CAS Registry Number 118244-86-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-9(2)12-7-5-3-4(10)6(11-5)8(7)13-9/h5-8H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKey VLGKFQNFQGLVGQ-CWKFCGSDSA-N
Molecular Weight 184.191 g/mol
SMILES [C@]12([C@]3(O[C@@]([C@]2(OC(O1)(C)C)[H])(CC3=O)[H])[H])[H]
SPLASH splash10-014i-0900000000-413fcfa477586ecefcdc
Source of Spectrum H-71-627-0
Synonyms (+)-(1R,4R,5R,6R)-5-exo,6-exo-(isopropylidenedioxy)-7-oxabicyclo[2.2.1]heptan-2-one (1R,2R,6R,7R)-4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.0(2,6)]decan-8-one
Wiley ID 1180338