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1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate
SpectraBase Compound ID 4uUBwBORSJ3
InChI InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey UWUZSZNNQJCARS-UHFFFAOYSA-N
Mol Weight 258.4 g/mol
Molecular Formula C15H30O3
Exact Mass 258.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HOvzdzQWtH
Name 1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.219494823 u
Formula C15H30O3
InChI InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey UWUZSZNNQJCARS-UHFFFAOYSA-N
Molecular Weight 258.402 g/mol
SMILES C(C)(COCCC)OC(CC(CC(C)(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964897