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4,7-Azulenedione, 2,3,3a,5,6,8-hexahydro-3a-methyl-1-(1-methylethyl)-, (S)-
SpectraBase Compound ID JutO8PpaTeg
InChI InChI=1S/C14H20O2/c1-9(2)11-6-7-14(3)12(11)8-10(15)4-5-13(14)16/h9H,4-8H2,1-3H3/t14-/m0/s1
InChIKey ORKLADGFXVZAIU-AWEZNQCLSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5b6GW8mPkHU
Name 4,7-Azulenedione, 2,3,3a,5,6,8-hexahydro-3a-methyl-1-(1-methylethyl)-, (S)-
Alternate Name(s) (1S)-1-Methyl-8-isopropylbicyclo[5.3.0]dec-7-ene-2,5-dione (3aS)-1-isopropyl-3a-methyl-2,3,3a,5,6,8-hexahydro-4,7-azulenedione
CAS Registry Number 117106-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(2)11-6-7-14(3)12(11)8-10(15)4-5-13(14)16/h9H,4-8H2,1-3H3/t14-/m0/s1
InChIKey ORKLADGFXVZAIU-AWEZNQCLSA-N
Molecular Weight 220.312 g/mol
SMILES C=12[C@@](C(=O)CCC(C2)=O)(CCC1C(C)C)C
SPLASH splash10-006t-0900000000-e512d1900d42892dba0c
Source of Spectrum F-43-5600-6
Wiley ID 1220186