| SpectraBase Spectrum ID |
Jad1o8o7yG2 |
| Name |
Cyclic ester of bis-benzene-1,2-diol bis-pentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.115817596 u |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c23-19-11-5-13-21(25)29-17-9-3-4-10-18(17)30-22(26)14-6-12-20(24)28-16-8-2-1-7-15(16)27-19/h1-4,7-10H,5-6,11-14H2 |
| InChIKey |
QSWNBCVMFITTPN-UHFFFAOYSA-N |
| Molecular Weight |
412.394 g/mol |
| SMILES |
C1(OC2=C(OC(CCCC(OC3=C(OC(CCC1)=O)C=CC=C3)=O)=O)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955814 |
