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(4S*,5S*)-cis-(+-)-4-isopropyl-5-phenyltetrahydrofuran-2-one

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

(4S*,5S*)-cis-(+-)-4-isopropyl-5-phenyltetrahydrofuran-2-one
SpectraBase Compound ID 4sz2KUIsUgW
InChI InChI=1S/C13H16O2/c1-9(2)11-8-12(14)15-13(11)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,13+/m0/s1
InChIKey KNRZXACLGUWLOW-WCQYABFASA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 69a0d4tQLtr
Name (4S*,5S*)-cis-(+-)-4-isopropyl-5-phenyltetrahydrofuran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)11-8-12(14)15-13(11)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,13+/m0/s1
InChIKey KNRZXACLGUWLOW-WCQYABFASA-N
Molecular Weight 204.269 g/mol
SMILES [C@]1(OC(=O)C[C@]1(C(C)C)[H])(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949008