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4H-1,3-Benzodioxin-4-one, 6,7,8,8a-tetrahydro-2-(1-methylethyl)-, (2S-trans)-
SpectraBase Compound ID 4QgCmi3BFYk
InChI InChI=1S/C11H16O3/c1-7(2)11-13-9-6-4-3-5-8(9)10(12)14-11/h5,7,9,11H,3-4,6H2,1-2H3/t9-,11-/m0/s1
InChIKey PNLIQSVSSYPUEK-ONGXEEELSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19vLe8VTD6I
Name 4H-1,3-Benzodioxin-4-one, 6,7,8,8a-tetrahydro-2-(1-methylethyl)-, (2S-trans)-
Alternate Name(s) (2S,8aS)-2-isopropyl-6,7,8,8a-tetrahydro-4H-1,3-benzodioxin-4-one (2S,8aS)-6,7,8,8a-tetrahydro-2-isopropyl-2H,4H-[1,3]benzodioxin-4-one
CAS Registry Number 124899-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7(2)11-13-9-6-4-3-5-8(9)10(12)14-11/h5,7,9,11H,3-4,6H2,1-2H3/t9-,11-/m0/s1
InChIKey PNLIQSVSSYPUEK-ONGXEEELSA-N
Molecular Weight 196.246 g/mol
SMILES C=12C(O[C@](O[C@]2(CCCC1)[H])(C(C)C)[H])=O
SPLASH splash10-0zi1-9600000000-ba92d825ea258ecd1a0b
Source of Spectrum H-72-707-12
Wiley ID 1193174