| SpectraBase Spectrum ID |
Ibq4Fml16Cp |
| Name |
Isobornyl laureate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.302830526 u |
| Formula |
C22H40O2 |
| InChI |
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-14-20(23)24-19-17-18-15-16-22(19,4)21(18,2)3/h18-19H,5-17H2,1-4H3/t18-,19?,22+/m0/s1 |
| InChIKey |
SABGETNXHUZLDJ-RAOLVUDRSA-N |
| Molecular Weight |
336.560 g/mol |
| SMILES |
C(CCCCCCCCCCC)(=O)OC1C[C@@]2(CC[C@]1(C2(C)C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898249 |
