| SpectraBase Spectrum ID |
6bWaq2OXv2F |
| Name |
1,2-Benzenediol, o,o'-dioctanoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-3-5-7-9-11-17-21(23)25-19-15-13-14-16-20(19)26-22(24)18-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey |
IXRQGRTZFFNCSE-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1(=CC=CC=C1OC(CCCCCCC)=O)OC(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924167 |
