| SpectraBase Spectrum ID |
FoaBAlIKDxQ |
| Name |
5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.203844759 u |
| Formula |
C22H28O3 |
| InChI |
InChI=1S/C22H28O3/c1-4-5-6-7-8-9-14-10-19(24)21(20(25)11-14)15-12-18(23)17-13-16(15)22(17,2)3/h10-11,15-17,24-25H,4-7,12-13H2,1-3H3/t15-,16-,17+/m1/s1 |
| InChIKey |
MBIDBUXDZCBQEH-ZACQAIPSSA-N |
| Molecular Weight |
340.463 g/mol |
| SMILES |
[C@@]12([C@](C=3C(=CC(C#CCCCCC)=CC3O)O)(CC([C@](C1)(C2(C)C)[H])=O)[H])[H] |
![5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol](/api/spectrum/FoaBAlIKDxQ/structure.png?h=300&w=458 "5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol")
