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

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3-(2,2-Dimethylpropyl)-4,5,5-trimethyl-2(5H)-furanone
SpectraBase Compound ID I7irI8iXpco
InChI InChI=1S/C12H20O2/c1-8-9(7-11(2,3)4)10(13)14-12(8,5)6/h7H2,1-6H3
InChIKey RVJVVHZBTPKWKJ-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 DhnuIqmVGoG
Name 3-(2,2-Dimethylpropyl)-4,5,5-trimethyl-2(5H)-furanone
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)10(13)14-12(8,5)6/h7H2,1-6H3
InChIKey RVJVVHZBTPKWKJ-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(OC(C(=C1CC(C)(C)C)C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934981