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Spiro[4.6](5R*,8R*)-8-acetoxy-1-oxa-6-undecene

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

Spiro[4.6](5R*,8R*)-8-acetoxy-1-oxa-6-undecene
SpectraBase Compound ID DbobwB3O22b
InChI InChI=1S/C12H18O3/c1-10(13)15-11-4-2-6-12(8-5-11)7-3-9-14-12/h5,8,11H,2-4,6-7,9H2,1H3/t11-,12-/m1/s1
InChIKey ZUJPLBWGMNTOBJ-VXGBXAGGSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ZwXNuLyveE
Name Spiro[4.6](5R*,8R*)-8-acetoxy-1-oxa-6-undecene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10(13)15-11-4-2-6-12(8-5-11)7-3-9-14-12/h5,8,11H,2-4,6-7,9H2,1H3/t11-,12-/m1/s1
InChIKey ZUJPLBWGMNTOBJ-VXGBXAGGSA-N
Molecular Weight 210.273 g/mol
SMILES C=1[C@@]2(OCCC2)CCC[C@@](OC(=O)C)(C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948535