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13-hexyl-1-oxacyclotridecan-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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rwsXzcaMv2
Name 12-octadecanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Agilent quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00366
Molecular Weight 282.468 g/mol
SMILES C1(OC(CCCCCCCCCC1)=O)CCCCCC
SPLASH splash10-05mn-9510000000-442195516d41cb102b53
Source of Spectrum G4-80-2574-Figure 3B
Wiley ID 1872307