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4,7-Azulenedione, 1,2,3,3a,5,6-hexahydro-3a-methyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4,7-Azulenedione, 1,2,3,3a,5,6-hexahydro-3a-methyl-
SpectraBase Compound ID IGcJt09P4jD
InChI InChI=1S/C11H14O2/c1-11-6-2-3-8(11)7-9(12)4-5-10(11)13/h7H,2-6H2,1H3
InChIKey RIHDCHUZGULGDD-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8frFrQ98X90
Name 4,7-Azulenedione, 1,2,3,3A,5,6-hexahydro-3A-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.099379689 u
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11-6-2-3-8(11)7-9(12)4-5-10(11)13/h7H,2-6H2,1H3
InChIKey RIHDCHUZGULGDD-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES C1=2C(C(=O)CCC(C2)=O)(CCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907888