| SpectraBase Spectrum ID |
IapMqwWb251 |
| Name |
1,4-bis((E)-2-Hydroxy-4-decen-1-yloxy)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-15-23(27)21-29-25-17-19-26(20-18-25)30-22-24(28)16-14-12-10-8-6-4-2/h11-14,17-20,23-24,27-28H,3-10,15-16,21-22H2,1-2H3/b13-11+,14-12+/t23-,24-/m0/s1 |
| InChIKey |
PXLIFUBAXZMQCA-XMAFSQQBSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(\C=C\C[C@@](COC=1C=CC(OC[C@@](O)(C\C=C\CCCCC)[H])=CC1)(O)[H])CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808433 |