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(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
SpectraBase Compound ID AaZMnCfwWgS
InChI InChI=1S/C9H14O4/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKey BJOPOVQRPOSWLW-XAMCCFCMSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5B3iyxDYPI7
Name (3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKey BJOPOVQRPOSWLW-XAMCCFCMSA-N
Molecular Weight 186.207 g/mol
SMILES O[C@]1(C=C[C@@]([C@]2([C@]1(OC(O2)(C)C)[H])[H])(O)[H])[H]
SPLASH splash10-03kd-9800000000-aabdec2c72cc8ec0dabf
Source of Spectrum F-56-2201-34
Wiley ID 856500