| SpectraBase Spectrum ID |
HUiSgQGioPg |
| Name |
(4-(4-(Benzoyloxy)butyl)-1,2,3,6,7,8,9,10-octahydrocyclohepta[E]inden-1-yl)methyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.261359635 u |
| Formula |
C33H36O4 |
| InChI |
InChI=1S/C33H36O4/c34-32(24-12-4-1-5-13-24)36-21-11-10-17-27-22-26-16-8-3-9-18-29(26)31-28(19-20-30(27)31)23-37-33(35)25-14-6-2-7-15-25/h1-2,4-7,12-15,22,28H,3,8-11,16-21,23H2 |
| InChIKey |
DRBBBDXQIVLKOE-UHFFFAOYSA-N |
| Molecular Weight |
496.647 g/mol |
| SMILES |
C12=C(C=C(C3=C2C(CC3)COC(C2=CC=CC=C2)=O)CCCCOC(C2=CC=CC=C2)=O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964281 |
![(4-(4-(Benzoyloxy)butyl)-1,2,3,6,7,8,9,10-octahydrocyclohepta[E]inden-1-yl)methyl benzoate](/api/spectrum/HUiSgQGioPg/structure.png?h=300&w=458 "(4-(4-(Benzoyloxy)butyl)-1,2,3,6,7,8,9,10-octahydrocyclohepta[E]inden-1-yl)methyl benzoate")
