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(5R)-3-[(1S)-1-Hydroxy-2,2-dimethylpropyl]-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methylfuran-2(5H)-one

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

(5R)-3-[(1S)-1-Hydroxy-2,2-dimethylpropyl]-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methylfuran-2(5H)-one
SpectraBase Compound ID BUO5MwtVWiv
InChI InChI=1S/C20H34O4/c1-11(2)14-9-8-12(3)10-15(14)23-19-13(4)16(18(22)24-19)17(21)20(5,6)7/h11-12,14-15,17,19,21H,8-10H2,1-7H3/t12-,14+,15-,17-,19-/m1/s1
InChIKey DJRDGKZWFKDENR-XYLZBAIXSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LPUz2wli9B3
Name (5R)-3-[(1S)-1-Hydroxy-2,2-dimethylpropyl]-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methylfuran-2(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-11(2)14-9-8-12(3)10-15(14)23-19-13(4)16(18(22)24-19)17(21)20(5,6)7/h11-12,14-15,17,19,21H,8-10H2,1-7H3/t12-,14+,15-,17-,19-/m1/s1
InChIKey DJRDGKZWFKDENR-XYLZBAIXSA-N
Molecular Weight 338.488 g/mol
SMILES C=1(C(O[C@](C1C)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])[H])=O)[C@](C(C)(C)C)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973185