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3-[(1Z,5Z)-pentadeca-1,5-dien-3-ynoxy]propane-1,2-diol
SpectraBase Compound ID KqWSyf67UHY
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-17-18(20)16-19/h10-11,14-15,18-20H,2-9,16-17H2,1H3/b11-10-,15-14-
InChIKey DLSPCSIOTSYWBY-JPTBNZNUSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HTDK45xaJUp
Name 3-[(1Z,5Z)-Pentadeca-1,5-dien-3-ynoxy]propane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.219494823 u
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-17-18(20)16-19/h10-11,14-15,18-20H,2-9,16-17H2,1H3/b11-10-,15-14-
InChIKey DLSPCSIOTSYWBY-JPTBNZNUSA-N
SMILES C(#C\C=C/CCCCCCCCC)\C=C/OCC(O)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842763