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2,2-Dimethyl-6-(2-oxanyloxy)-4-hexyn-3-one

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

2,2-Dimethyl-6-(2-oxanyloxy)-4-hexyn-3-one
SpectraBase Compound ID C5ARvkQUp6m
InChI InChI=1S/C13H20O3/c1-13(2,3)11(14)7-6-10-16-12-8-4-5-9-15-12/h12H,4-5,8-10H2,1-3H3
InChIKey XBBIRRFQCMDROQ-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 47stWjwpEP4
Name 2,2-Dimethyl-6-(2-oxanyloxy)-4-hexyn-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-13(2,3)11(14)7-6-10-16-12-8-4-5-9-15-12/h12H,4-5,8-10H2,1-3H3
InChIKey XBBIRRFQCMDROQ-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES CC(C(C#CCOC1CCCCO1)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80622