| SpectraBase Spectrum ID |
H0AxeALDRE6 |
| Name |
7A-Butoxyabieta-8, 12-diene-11,14-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.266445016 u |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-7-8-12-27-18-14-19-23(4,5)10-9-11-24(19,6)21-17(25)13-16(15(2)3)22(26)20(18)21/h13,15,18-19H,7-12,14H2,1-6H3/t18-,19+,24+/m1/s1 |
| InChIKey |
UTENWBCYLWAZSJ-IMWIBFENSA-N |
| Molecular Weight |
372.549 g/mol |
| SMILES |
CC1(C)[C@@]2([H])[C@@](C=3C(C=C(C(C)C)C(C3[C@@](C2)(OCCCC)[H])=O)=O)(CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917775 |
