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(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
SpectraBase Compound ID F0hHgP8Iyrw
InChI InChI=1S/C9H14O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h7-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKey IDLWXKVEMSHQFY-JGVFFNPUSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHmtjY71zmU
Name (3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
CAS Registry Number 121573-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h7-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKey IDLWXKVEMSHQFY-JGVFFNPUSA-N
Molecular Weight 170.208 g/mol
SMILES C1(O[C@@]2(CC(=O)CC[C@@]2(O1)[H])[H])(C)C
SPLASH splash10-08fr-0900000000-adf253da6854ba047889
Source of Spectrum J-54-3738-4
Wiley ID 1166614