| SpectraBase Spectrum ID |
2pvMFCc9PK4 |
| Name |
5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol |
| Alternate Name(s) |
(1R,2R,5R)-2-(4-hept-1-ynyl-2,6-dihydroxyphenyl)-6,6-dimethyl-4-bicyclo[3.1.1]heptanone
(1R,2R,5R)-2-(4-hept-1-ynyl-2,6-dihydroxyphenyl)-6,6-dimethylbicyclo[3.1.1]heptan-4-one
(1R,2R,5R)-2-[4-hept-1-ynyl-2,6-bis(oxidanyl)phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
Oc1c(c(cc(c1)C#CCCCCC)O)[C@]1([C@@]2(C(C)(C)[C@@](C2)(C(=O)C1)[H])[H])[H] |
| SPLASH |
splash10-05mo-0095000000-54dfad4e0f5da8c812b0 |
| Source of Spectrum |
E1-39-3793-11 |
| Wiley ID |
1598972 |
![5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol](/api/spectrum/2pvMFCc9PK4/structure.png?h=300&w=458 "5-Heptynyl-2-(3-oxo-7,7-bimethylbicyclo[2.2.1]hept-1-yl)resorcinol")
