| SpectraBase Spectrum ID |
LkIR2VHvV1M |
| Name |
1,5-Dimethyl-6-(1,5-dimethylhexyl)-15-phenyl-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13,16-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.360345403 u |
| Formula |
C33H48O3 |
| InChI |
InChI=1S/C33H48O3/c1-21(2)10-9-11-22(3)26-14-15-27-31-28(16-17-32(26,27)4)33(5)20-29(35)25(23-12-7-6-8-13-23)18-24(34)19-30(31)36-33/h6-8,12-13,21-22,25-28,30-31H,9-11,14-20H2,1-5H3 |
| InChIKey |
NLSYXPTWDNCUCQ-UHFFFAOYSA-N |
| Molecular Weight |
492.744 g/mol |
| SMILES |
C12(OC(CC(=O)CC(C(C2)=O)C2=CC=CC=C2)C2C3CCC(C3(CCC12)C)C(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8931 |
![1,5-Dimethyl-6-(1,5-dimethylhexyl)-15-phenyl-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13,16-dione](/api/spectrum/LkIR2VHvV1M/structure.png?h=300&w=458 "1,5-Dimethyl-6-(1,5-dimethylhexyl)-15-phenyl-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13,16-dione")
