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1,4-Azulenedione, octahydro-7-methyl-, (3a.alpha.,7.beta.,8a.alpha.)-
SpectraBase Compound ID EBa83AD0jX3
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-/m1/s1
InChIKey NHXBWIOOXVJZET-IWSPIJDZSA-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 HveKP1cxjmZ
Name 1,4-Azulenedione, octahydro-7-methyl-, (3a.alpha.,7.beta.,8a.alpha.)-
Alternate Name(s) (3aR,7R,8aR)-7-methyloctahydro-1,4-azulenedione trans-5-methyl-bicyclo[5.3.0]decan-2,8-one
CAS Registry Number 79881-00-8
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-/m1/s1
InChIKey NHXBWIOOXVJZET-IWSPIJDZSA-N
Molecular Weight 180.247 g/mol
SMILES [C@]12([C@](C(=O)CC[C@](C2)(C)[H])(CCC1=O)[H])[H]
SPLASH splash10-001l-9700000000-639422f02c6abac842bd
Source of Spectrum H-64-757-0
Wiley ID 1176478