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(S,R)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran

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

(S,R)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran
SpectraBase Compound ID 6s02nDY7CBl
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKey DFGORORBAXZRSB-NEPJUHHUSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HTVlKQKXw54
Name (S,R)-2-[(1'-Methylheptyl)oxymethyl]-5-oxotetrahydrofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.172544630 u
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKey DFGORORBAXZRSB-NEPJUHHUSA-N
Molecular Weight 228.332 g/mol
SMILES C1(O[C@](CO[C@@](CCCCCC)(C)[H])(CC1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842154