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1,12-Dehydro-11-oxo-8-methylbicyclo[5.4.0]dodecane

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

1,12-Dehydro-11-oxo-8-methylbicyclo[5.4.0]dodecane
SpectraBase Compound ID GaXRG58s1Af
InChI InChI=1S/C13H20O/c1-13-8-5-3-2-4-6-11(13)10-12(14)7-9-13/h10H,2-9H2,1H3
InChIKey AGQPAENCYNXDRQ-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ISpJdh59bB
Name 1,12-Dehydro-11-oxo-8-methylbicyclo[5.4.0]dodecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-13-8-5-3-2-4-6-11(13)10-12(14)7-9-13/h10H,2-9H2,1H3
InChIKey AGQPAENCYNXDRQ-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1=2C(CCC(C2)=O)(C)CCCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934996