| SpectraBase Spectrum ID |
EtRFp8yVy2I |
| Name |
1,6,7,12-Perylenetetrol, tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.115817596 u |
| Formula |
C28H20O8 |
| InChI |
InChI=1S/C28H20O8/c1-13(29)33-19-9-5-17-6-11-21(35-15(3)31)27-23(17)25(19)26-20(34-14(2)30)10-7-18-8-12-22(36-16(4)32)28(27)24(18)26/h5-12H,1-4H3 |
| InChIKey |
LOHSUKJHTUKQNA-UHFFFAOYSA-N |
| Molecular Weight |
484.460 g/mol |
| SMILES |
C1=2C=3C4=C(C=CC(=C4C=4C2C(C=CC4OC(=O)C)=CC=C1OC(=O)C)OC(=O)C)C=CC3OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912572 |
