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8a.beta.-Methyl-4,5,8-trihydro-1,6(3a.beta.H,7H)-azulenedione
SpectraBase Compound ID 2ga6ZuZTaEO
InChI InChI=1S/C11H14O2/c1-11-7-6-9(12)4-2-8(11)3-5-10(11)13/h3,5,8H,2,4,6-7H2,1H3/t8?,11-/m1/s1
InChIKey UMIOQCDNALJGDS-QHDYGNBISA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhR1SZeOzrT
Name 8a.beta.-Methyl-4,5,8-trihydro-1,6(3a.beta.H,7H)-azulenedione
Alternate Name(s) (8aR)-8a-methyl-3a,4,5,7,8,8a-hexahydro-1,6-azulenedione
CAS Registry Number 75400-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11-7-6-9(12)4-2-8(11)3-5-10(11)13/h3,5,8H,2,4,6-7H2,1H3/t8?,11-/m1/s1
InChIKey UMIOQCDNALJGDS-QHDYGNBISA-N
Molecular Weight 178.231 g/mol
SMILES [C@]12(C(C=CC2CCC(CC1)=O)=O)C
SPLASH splash10-056r-5900000000-5e229e92280699c8d0df
Source of Spectrum J-46-12-0
Wiley ID 1174243