| SpectraBase Spectrum ID |
LUM6xYbppsP |
| Name |
2,7-di-N-Hexanoyl-9,9-dimethylxanthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.250794952 u |
| Formula |
C27H34O3 |
| InChI |
InChI=1S/C27H34O3/c1-5-7-9-11-23(28)19-13-15-25-21(17-19)27(3,4)22-18-20(14-16-26(22)30-25)24(29)12-10-8-6-2/h13-18H,5-12H2,1-4H3 |
| InChIKey |
CROKULOUEWZFNH-UHFFFAOYSA-N |
| Molecular Weight |
406.566 g/mol |
| SMILES |
C1(C=2C=C(C=CC2OC=2C=CC(=CC12)C(CCCCC)=O)C(CCCCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857929 |
