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1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane

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

1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane
SpectraBase Compound ID 6lu6m7SVjOR
InChI InChI=1S/C15H27IO4/c1-14(2,3)12(17)19-9-11(7-8-16)10-20-13(18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKey NOWJFHZQQLNHNI-UHFFFAOYSA-N
Mol Weight 398.28 g/mol
Molecular Formula C15H27IO4
Exact Mass 398.095404 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5v6qt1y2PM9
Name 1-(Trimethylacetoxy)-2-[(trimethylacetoxy)methyl]-4-iodobutane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.095404345 u
Formula C15H27IO4
InChI InChI=1S/C15H27IO4/c1-14(2,3)12(17)19-9-11(7-8-16)10-20-13(18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKey NOWJFHZQQLNHNI-UHFFFAOYSA-N
Molecular Weight 398.281 g/mol
SMILES C(C(C)(C)C)(OCC(COC(C(C)(C)C)=O)CCI)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895099