| SpectraBase Spectrum ID |
CERj4vAi2rI |
| Name |
ent(11,12)-seco-Atis-12(16),13-dien-11-al |
| Comments |
Removed - expert review: contamination (DOP) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O |
| InChI |
InChI=1S/C20H30O/c1-15-7-5-11-20(13-15)12-8-16-18(2,3)9-6-10-19(16,4)17(20)14-21/h5,7,11,14,16-17H,6,8-10,12-13H2,1-4H3/t16?,17-,19+,20+/m0/s1 |
| InChIKey |
XIKNKQQCTALPOQ-KSRCZVEISA-N |
| Molecular Weight |
286.459 g/mol |
| SMILES |
[C@]12(C(C(C)(C)CCC2)CC[C@@]2([C@]1(C=O)[H])CC(C)=CC=C2)C |
| SPLASH |
splash10-00kb-4900000000-cae250796621f21ec591 |
| Source of Spectrum |
X2-52-676-22 |
| Wiley ID |
1603162 |
