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10,12-Octadecadiynoic acid

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10,12-Octadecadiynoic acid
SpectraBase Compound ID FxOp5Ob8LTR
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,10-17H2,1H3,(H,19,20)
InChIKey WNNYSRHBDYRXCH-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LVVdnlyisaH
Name 10,12-Octadecadiynoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,10-17H2,1H3,(H,19,20)
InChIKey WNNYSRHBDYRXCH-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C(O)(CCCCCCCCC#CC#CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855451