| SpectraBase Spectrum ID |
KlanMqeQbb7 |
| Name |
1,5-Dimethyl-6-(1,5-dimethylhexyl)-15,16-epoxy-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.349780719 u |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-17(2)7-6-8-18(3)22-9-10-23-26-24(11-12-27(22,23)4)28(5)16-20-13-19(20)14-21(29)15-25(26)30-28/h17-20,22-26H,6-16H2,1-5H3 |
| InChIKey |
MJDWFSBCQOWVCN-UHFFFAOYSA-N |
| Molecular Weight |
414.674 g/mol |
| SMILES |
C12(C(C3C4OC(C3CC2)(CC2C(CC(C4)=O)C2)C)CCC1C(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928134 |
![1,5-Dimethyl-6-(1,5-dimethylhexyl)-15,16-epoxy-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13-one](/api/spectrum/KlanMqeQbb7/structure.png?h=300&w=458 "1,5-Dimethyl-6-(1,5-dimethylhexyl)-15,16-epoxy-18-oxatetracyclo[9.6.1.0(2,10).0(5,9)]octdecane-13-one")
