| SpectraBase Spectrum ID |
L1yyD0kYohC |
| Name |
Linocinnamarin, tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.158076330 u |
| Formula |
C24H28O12 |
| InChI |
InChI=1S/C24H28O12/c1-13(25)31-12-19-21(32-14(2)26)22(33-15(3)27)23(34-16(4)28)24(36-19)35-18-9-6-17(7-10-18)8-11-20(29)30-5/h6-11,19,21-24H,12H2,1-5H3/b11-8+/t19-,21-,22+,23-,24-/m1/s1 |
| InChIKey |
BBUOVKNWUZASSM-PDGCLVIYSA-N |
| Molecular Weight |
508.476 g/mol |
| SMILES |
C(OC)(=O)\C=C\C1=CC=C(C=C1)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954118 |
