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5,5-Dimethylspiro[5.5]undec-7-ene-1,9-dione
SpectraBase Compound ID 8dWeVU2ppdx
InChI InChI=1S/C13H18O2/c1-12(2)7-3-4-11(15)13(12)8-5-10(14)6-9-13/h5,8H,3-4,6-7,9H2,1-2H3
InChIKey PDVGTMSTVWLERW-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FoJWjGfUvtP
Name 5,5-Dimethylspiro[5.5]undec-7-ene-1,9-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-12(2)7-3-4-11(15)13(12)8-5-10(14)6-9-13/h5,8H,3-4,6-7,9H2,1-2H3
InChIKey PDVGTMSTVWLERW-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C12(C=CC(CC2)=O)C(CCCC1=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975222