| SpectraBase Spectrum ID |
5E3dhGO4PJI |
| Name |
6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecene-2-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.094688229 u |
| Formula |
C13H16O6 |
| InChI |
InChI=1S/C13H16O6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2,(H,14,15) |
| InChIKey |
IUNXJXMCLUDRQB-UHFFFAOYSA-N |
| SMILES |
C(C1=CC=2OCCOCCOCCOC2C=C1)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86457 |
