| SpectraBase Spectrum ID |
7Ekkz8zq0tO |
| Name |
Trans-verbenyl laureate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.287180462 u |
| Formula |
C22H38O2 |
| InChI |
InChI=1S/C22H38O2/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-20-15-17(2)18-16-19(20)22(18,3)4/h15,18-20H,5-14,16H2,1-4H3 |
| InChIKey |
HALFTOAKQHSZDB-UHFFFAOYSA-N |
| Molecular Weight |
334.544 g/mol |
| SMILES |
C1(C2C(=CC(C1C2)OC(CCCCCCCCCCC)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895032 |
