| SpectraBase Spectrum ID |
LJyvlWv3m56 |
| Name |
.beta.-Santalol, palmitate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.412380977 u |
| Formula |
C31H54O2 |
| InChI |
InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(32)33-25-26(2)19-18-23-31(4)27(3)28-21-22-29(31)24-28/h19,28-29H,3,5-18,20-25H2,1-2,4H3/b26-19- |
| InChIKey |
IOPSWMGQFCDUGF-XHPQRKPJSA-N |
| Molecular Weight |
458.771 g/mol |
| SMILES |
C12C(C(=C)C(C2)CC1)(C)CC\C=C\(C)COC(=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920941 |
