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1,4-Naphthalenedione, octahydro-4a-methyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,7.alpha.,8a.beta.)]-
SpectraBase Compound ID 2qRwIc1IF1t
InChI InChI=1S/C14H22O2/c1-9(2)10-6-7-14(3)11(8-10)12(15)4-5-13(14)16/h9-11H,4-8H2,1-3H3/t10-,11+,14-/m0/s1
InChIKey OIPBLXNPHVPHMJ-WDMOLILDSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFhMjOj0VZk
Name 1,4-Naphthalenedione, octahydro-4a-methyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,7.alpha.,8a.beta.)]-
Alternate Name(s) (4aS,7S,8aS)-7-isopropyl-4a-methyloctahydro-1,4-naphthalenedione 8(S)-(1-methylethyl)-1(S)-methyl-6H(S)-bicyclo[4.4.0]-decane-2,5-dione
CAS Registry Number 79433-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(2)10-6-7-14(3)11(8-10)12(15)4-5-13(14)16/h9-11H,4-8H2,1-3H3/t10-,11+,14-/m0/s1
InChIKey OIPBLXNPHVPHMJ-WDMOLILDSA-N
Molecular Weight 222.328 g/mol
SMILES [C@@]12([C@](C[C@](CC2)(C(C)C)[H])(C(=O)CCC1=O)[H])C
SPLASH splash10-0002-9110000000-65f4ba37e439dc9175ea
Source of Spectrum AN-90-259-0
Wiley ID 1222857