SpectraBase Spectrum ID |
7MqrNC3xmOa |
Name |
(E)-14,18-Dimethyl-3,6,9,12-tetraoxaicosa-14,19-dien-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.240624190 u |
Formula |
C18H34O5 |
InChI |
InChI=1S/C18H34O5/c1-4-17(2)6-5-7-18(3)16-23-15-14-22-13-12-21-11-10-20-9-8-19/h4,7,17,19H,1,5-6,8-16H2,2-3H3/b18-7+ |
InChIKey |
AAKFLAQTYCDHBE-CNHKJKLMSA-N |
Molecular Weight |
330.465 g/mol |
SMILES |
C(\C(=C\CCC(C=C)C)C)OCCOCCOCCOCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905467 |