| SpectraBase Spectrum ID |
4e9JHn8y0My |
| Name |
Abieta-6,8,13-triene-11,12-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.193280075 u |
| Formula |
C20H26O2 |
| InChI |
InChI=1S/C20H26O2/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/h7-8,11-12,15H,6,9-10H2,1-5H3/t15-,20+/m1/s1 |
| InChIKey |
BMXBLMQPMDQOTK-QRWLVFNGSA-N |
| SMILES |
C=12[C@@]3([C@](C(C)(C)CCC3)([H])C=CC1C=C(C(C2=O)=O)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890891 |
