| SpectraBase Spectrum ID |
1Yy9T6BJUj3 |
| Name |
2-(3,4-di(N-Pentyl)oxyphenyl)-2,3-dihydro-5-hydroxy,7-(N-pentyl)oxy-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.298139066 u |
| Formula |
C30H42O6 |
| InChI |
InChI=1S/C30H42O6/c1-4-7-10-15-33-23-19-24(31)30-25(32)21-27(36-29(30)20-23)22-13-14-26(34-16-11-8-5-2)28(18-22)35-17-12-9-6-3/h13-14,18-20,27,31H,4-12,15-17,21H2,1-3H3 |
| InChIKey |
PTFIRGQJUUHPAB-UHFFFAOYSA-N |
| Molecular Weight |
498.660 g/mol |
| SMILES |
C1=C(C(OCCCCC)=CC=C1C1CC(C2=C(C=C(C=C2O)OCCCCC)O1)=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931428 |
