| SpectraBase Spectrum ID |
F3zl0UBX3h8 |
| Name |
1,9-bis(2,4-Dihydroxyphenyl)-1,9-nonanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.157288487 u |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c22-14-8-10-16(20(26)12-14)18(24)6-4-2-1-3-5-7-19(25)17-11-9-15(23)13-21(17)27/h8-13,22-23,26-27H,1-7H2 |
| InChIKey |
HRUJZXINGNQHGE-UHFFFAOYSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
OC=1C=C(C(C(CCCCCCCC(C=2C=CC(=CC2O)O)=O)=O)=CC1)O |
| Spectrum/Structure Validation Score (Raman) |
0.938796 |
