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3-[5-(Tetrahydro-2-pyranyloxy)pentyl]-2-cyclohexen-1-one
SpectraBase Compound ID IoCLnRNibbx
InChI InChI=1S/C16H26O3/c17-15-9-6-8-14(13-15)7-2-1-4-11-18-16-10-3-5-12-19-16/h13,16H,1-12H2
InChIKey WBBCOTCAPWREGE-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JwwwwBjBj86
Name 3-[5-(Tetrahydro-2-pyranyloxy)pentyl]-2-cyclohexen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.188194694 u
Formula C16H26O3
InChI InChI=1S/C16H26O3/c17-15-9-6-8-14(13-15)7-2-1-4-11-18-16-10-3-5-12-19-16/h13,16H,1-12H2
InChIKey WBBCOTCAPWREGE-UHFFFAOYSA-N
Molecular Weight 266.381 g/mol
SMILES C1=C(CCCC1=O)CCCCCOC1OCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953433