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13-Hexyloxacyclotridecan-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

13-Hexyloxacyclotridecan-2-one
SpectraBase Compound ID DQ26ZpkHs1h
InChI InChI=1S/C18H34O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17/h17H,2-16H2,1H3
InChIKey QCYYDSAKAHEUDF-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 71BaaRzUEgC
Name 13-Hexyloxacyclotridecan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17/h17H,2-16H2,1H3
InChIKey QCYYDSAKAHEUDF-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES C1(=O)OC(CCCCCCCCCC1)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923752