| SpectraBase Spectrum ID |
3nxf3eFoh75 |
| Name |
8,12-Abietadiene-11,12-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h11-12,15H,6-10H2,1-5H3/t15-,20-/m0/s1 |
| InChIKey |
IWGYVGCSDMHADO-YWZLYKJASA-N |
| SMILES |
C=12[C@@]3([C@@](C(C)(C)CCC3)([H])CCC1C=C(C(C)C)C(C2=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828524 |
