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(4R,5S)-5-(t-Butyl)-4-methyl-2,5-dihydrofuran-2-one

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

(4R,5S)-5-(t-Butyl)-4-methyl-2,5-dihydrofuran-2-one
SpectraBase Compound ID 5GOSXcHxMaM
InChI InChI=1S/C9H16O2/c1-6-5-7(10)11-8(6)9(2,3)4/h6,8H,5H2,1-4H3/t6-,8+/m1/s1
InChIKey YCRXGHBJVSWMAX-SVRRBLITSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HE22rUAWIup
Name (4R,5S)-5-(T-Butyl)-4-methyl-2,5-dihydrofuran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6-5-7(10)11-8(6)9(2,3)4/h6,8H,5H2,1-4H3/t6-,8+/m1/s1
InChIKey YCRXGHBJVSWMAX-SVRRBLITSA-N
Molecular Weight 156.225 g/mol
SMILES [C@@]1(C(C)(C)C)(OC(=O)C[C@]1(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867838