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(2,3-Anti,3,4-anti,4,6-syn)-2,6-di(propyl)-3,4-diacetoxyoxacyclohexane

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

(2,3-Anti,3,4-anti,4,6-syn)-2,6-di(propyl)-3,4-diacetoxyoxacyclohexane
SpectraBase Compound ID BFShdzcfi1X
InChI InChI=1S/C15H26O5/c1-5-7-12-9-14(18-10(3)16)15(19-11(4)17)13(20-12)8-6-2/h12-15H,5-9H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChIKey NPLVEFXUCOYYIN-GBJTYRQASA-N
Mol Weight 286.37 g/mol
Molecular Formula C15H26O5
Exact Mass 286.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 10GUSw6fCzK
Name (2,3-Anti,3,4-anti,4,6-syn)-2,6-di(propyl)-3,4-diacetoxyoxacyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.178023932 u
Formula C15H26O5
InChI InChI=1S/C15H26O5/c1-5-7-12-9-14(18-10(3)16)15(19-11(4)17)13(20-12)8-6-2/h12-15H,5-9H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChIKey NPLVEFXUCOYYIN-GBJTYRQASA-N
SMILES [C@]1([C@](OC(=O)C)(C[C@@](O[C@@]1(CCC)[H])(CCC)[H])[H])(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93528