| SpectraBase Spectrum ID |
9En9aQQEWzR |
| Name |
Calycosin diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.089602848 u |
| Formula |
C20H16O7 |
| InChI |
InChI=1S/C20H16O7/c1-11(21)26-14-5-6-15-18(9-14)25-10-16(20(15)23)13-4-7-17(24-3)19(8-13)27-12(2)22/h4-10H,1-3H3 |
| InChIKey |
BSROEDRNGUUGNQ-UHFFFAOYSA-N |
| Molecular Weight |
368.341 g/mol |
| SMILES |
C1(C=2C(=O)C3=CC=C(OC(C)=O)C=C3OC2)=CC(=C(C=C1)OC)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9158 |
