| SpectraBase Spectrum ID |
7LoAOmKwu2f |
| Name |
Colletotric-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.168247092 u |
| Formula |
C28H28O10 |
| InChI |
InChI=1S/C28H28O10/c1-11-8-17(29)9-18(30)21(11)27(34)38-25-15(5)22(14(4)24(36-7)16(25)6)28(35)37-20-10-19(31)23(26(32)33)13(3)12(20)2/h8-10,29-31H,1-7H3,(H,32,33) |
| InChIKey |
XCQZDTOTILKBSN-UHFFFAOYSA-N |
| Molecular Weight |
524.522 g/mol |
| SMILES |
C1(O)=C(C(=O)OC2=C(C(=C(C)C(=C2C)C(=O)OC2=C(C(C)=C(C(=C2)O)C(=O)O)C)OC)C)C(=CC(=C1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839074 |
