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1,4-Azulenedione, octahydro-7-methyl-, (3a.alpha.,7.alpha.,8a.beta.)-
SpectraBase Compound ID c9WS1qfWbC
InChI InChI=1S/C11H16O2/c1-7-2-4-10(12)8-3-5-11(13)9(8)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey NHXBWIOOXVJZET-YIZRAAEISA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbxgPVvsN7h
Name 1,4-Azulenedione, octahydro-7-methyl-, (3a.alpha.,7.alpha.,8a.beta.)-
CAS Registry Number 79881-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-7-2-4-10(12)8-3-5-11(13)9(8)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey NHXBWIOOXVJZET-YIZRAAEISA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]12([C@](C(=O)CC[C@@](C2)(C)[H])(CCC1=O)[H])[H]
SPLASH splash10-0536-9500000000-0a7867d6145acdb13307
Source of Spectrum H-64-757-0
Synonyms (3aR,7S,8aS)-7-methyloctahydro-1,4-azulenedione cis-5-methyl-bicyclo[5.3.0]decan-2,8-one
Wiley ID 1176477