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(3aR,4S,5R,7aS)-5-ethyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
SpectraBase Compound ID 88sq8tlf6fR
InChI InChI=1S/C11H18O3/c1-4-7-5-6-8-10(9(7)12)14-11(2,3)13-8/h5-10,12H,4H2,1-3H3/t7-,8+,9+,10+/m1/s1
InChIKey SGQHYZMJHCYYNY-KATARQTJSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qajU8Mjzs
Name (3aR,4S,5R,7aS)-5-ethyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-4-7-5-6-8-10(9(7)12)14-11(2,3)13-8/h5-10,12H,4H2,1-3H3/t7-,8+,9+,10+/m1/s1
InChIKey SGQHYZMJHCYYNY-KATARQTJSA-N
Molecular Weight 198.262 g/mol
SMILES O[C@@]1([C@]2(OC(C)(C)O[C@]2(C=C[C@]1(CC)[H])[H])[H])[H]
SPLASH splash10-008a-2900000000-82ed941ccc6f18b0c463
Source of Spectrum H-2005-904-12
Wiley ID 1562413