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4,7-Azulenedione, octahydro-8a-hydroxy-3a-methyl-1-(1-methylethyl)-, [1R-(1.alpha.,3a.beta.,8a.beta.)]-
SpectraBase Compound ID BWh9EkGlNl2
InChI InChI=1S/C14H22O3/c1-9(2)11-6-7-13(3)12(16)5-4-10(15)8-14(11,13)17/h9,11,17H,4-8H2,1-3H3/t11-,13+,14-/m0/s1
InChIKey LNJKGOHQWNMQBS-YUTCNCBUSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DU7DDmJ4Oec
Name 4,7-Azulenedione, octahydro-8a-hydroxy-3a-methyl-1-(1-methylethyl)-, [1R-(1.alpha.,3a.beta.,8a.beta.)]-
CAS Registry Number 82201-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-9(2)11-6-7-13(3)12(16)5-4-10(15)8-14(11,13)17/h9,11,17H,4-8H2,1-3H3/t11-,13+,14-/m0/s1
InChIKey LNJKGOHQWNMQBS-YUTCNCBUSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@]12[C@@](C(=O)CCC(C2)=O)(CC[C@]1(C(C)C)[H])C
SPLASH splash10-000b-7910000000-aa7897897ec002da7771
Source of Spectrum F-43-5601-8
Synonyms (1S,3aS,8aS)-8a-hydroxy-1-isopropyl-3a-methyloctahydro-4,7-azulenedione (1S,7R,8R)-7-Hydroxy-1-methyl-8-isopropylbicylo[5.3.0]deca-2,5-dione
Wiley ID 1240786