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Methyl 2-oxononadec-10-ynoate

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

Methyl 2-oxononadec-10-ynoate
SpectraBase Compound ID DeZk0appC5j
InChI InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3
InChIKey PJTRRUACLWOCAD-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CUV7Fap4qVB
Name Methyl 2-oxononadec-10-ynoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.250794952 u
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3
InChIKey PJTRRUACLWOCAD-UHFFFAOYSA-N
Molecular Weight 322.489 g/mol
SMILES C(C(CCCCCCCC#CCCCCCCCC)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969827