| SpectraBase Spectrum ID |
9FdRC87Rt1q |
| Name |
Trans-pinocarvyl 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)24-20-16-18-15-19(17(20)2)22(18,3)4/h18-20H,2,5-16H2,1,3-4H3 |
| InChIKey |
BQJZDGHPWPPVLY-UHFFFAOYSA-N |
| Molecular Weight |
334.544 g/mol |
| SMILES |
C(CCCCCCCCCCC)(=O)OC1C(C2C(C(C1)C2)(C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9302 |
