| SpectraBase Spectrum ID |
JRpu0QSW65p |
| Name |
Tetrahydroabietic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-17H,5-12H2,1-4H3,(H,21,22) |
| InChIKey |
YPGLTKHJEQHKSS-UHFFFAOYSA-N |
| SMILES |
C1CCC2(C(C1(C(=O)O)C)CCC1C2CCC(C1)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929751 |
