| SpectraBase Spectrum ID |
B0cVlxZlskD |
| Name |
14,15-Bisnoar-8(17)-labdene-16,19-dioic-acid-dimethylester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-14-10-11-16-19(2,15(14)8-6-9-17(21)23-4)12-7-13-20(16,3)18(22)24-5/h15-16H,1,6-13H2,2-5H3/t15-,16?,19+,20-/m0/s1 |
| InChIKey |
RVECXWVHXLEDRH-NYZIJIBMSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
C(=O)(CCC[C@]1(C(CCC2[C@@](CCC[C@]12C)(C)C(=O)OC)=C)[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988444 |
