| SpectraBase Spectrum ID |
LPiKS17XwI8 |
| Name |
3,5,4'-Triacetoxy-3'-methoxy-bibenzyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-13(22)26-18-9-17(10-19(12-18)27-14(2)23)6-5-16-7-8-20(28-15(3)24)21(11-16)25-4/h7-12H,5-6H2,1-4H3 |
| InChIKey |
CKVGTUCEKUAFSD-UHFFFAOYSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C=1(OC(=O)C)C=C(C=C(CCC2=CC(=C(C=C2)OC(=O)C)OC)C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821776 |
