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5,5,5',5'-Tetramethyl-3,3'-bis(tetrahydro-2-furanone)

View entire compound with spectra: 4 NMR, 1 FTIR, and 2 MS (GC)

5,5,5',5'-Tetramethyl-3,3'-bis(tetrahydro-2-furanone)
SpectraBase Compound ID IcMEKUdxkg8
InChI InChI=1S/C12H18O4/c1-11(2)5-7(9(13)15-11)8-6-12(3,4)16-10(8)14/h7-8H,5-6H2,1-4H3
InChIKey AAYVXKOMEBWTEM-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ImDSLiav4hI
Name 3S,3'S-and 3R,3'R-5,5,5,5 -Tetramethyltetrahydro-[3,3]bifuranyl-2,2' -dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-11(2)5-7(9(13)15-11)8-6-12(3,4)16-10(8)14/h7-8H,5-6H2,1-4H3
InChIKey AAYVXKOMEBWTEM-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C(C2C(OC(C2)(C)C)=O)CC(O1)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984223