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3(2H)-furanone, 5-(2,2-dimethylpropyl)-2,2,4-trimethyl-

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

3(2H)-furanone, 5-(2,2-dimethylpropyl)-2,2,4-trimethyl-
SpectraBase Compound ID CbnEcUsRCvt
InChI InChI=1S/C12H20O2/c1-8-9(7-11(2,3)4)14-12(5,6)10(8)13/h7H2,1-6H3
InChIKey VLHLKRCKCWFYQM-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ozhEjCcFc3
Name 3(2H)-Furanone, 5-(2,2-dimethylpropyl)-2,2,4-trimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8-9(7-11(2,3)4)14-12(5,6)10(8)13/h7H2,1-6H3
InChIKey VLHLKRCKCWFYQM-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(=C(C(=O)C(O1)(C)C)C)CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976161