| SpectraBase Spectrum ID |
1as2zh8t0LA |
| Name |
Cromolyn in kbr-ethyl acetate extract of sodium salt solution |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.069261324 u |
| Formula |
C23H16O11 |
| InChI |
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) |
| InChIKey |
IMZMKUWMOSJXDT-UHFFFAOYSA-N |
| Molecular Weight |
468.370 g/mol |
| SMILES |
OC(COC=1C=2C(C=C(C(=O)O)OC2C=CC1)=O)COC=1C=2C(C=C(C(=O)O)OC2C=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.953569 |
