SpectraBase Spectrum ID |
FBQomR6khK |
Name |
Benzofuran-6-ol-4-one, 2,3,4,5,6,7-hexahydro-3-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.235144887 u |
Formula |
C19H32O3 |
InChI |
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-10-11-15-14-22-18-13-16(20)12-17(21)19(15)18/h15-16,20H,2-14H2,1H3 |
InChIKey |
WNWOFQXPZUFLTN-UHFFFAOYSA-N |
Molecular Weight |
308.462 g/mol |
SMILES |
C1C(CC(C2=C1OCC2CCCCCCCCCCC)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860874 |