| SpectraBase Spectrum ID |
6sdo8rjfOIA |
| Name |
2-[3-fluoro-4-[4-(5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H45F |
| InChI |
InChI=1S/C34H45F/c1-3-5-22-13-27-17-31(18-28(27)14-22)24-7-9-25(10-8-24)33-12-11-26(21-34(33)35)32-19-29-15-23(6-4-2)16-30(29)20-32/h7-12,21-23,27-32H,3-6,13-20H2,1-2H3 |
| InChIKey |
PBKBCCCBTOMWIF-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
472.732 g/mol |
| SMILES |
C1C(CC2C1CC(C2)c1cc(c(cc1)-c1ccc(cc1)C1CC2C(C1)CC(C2)CCC)F)CCC |
| SPLASH |
splash10-0a4i-0900100000-db535c0d2a7ca4b2ed22 |
| Source of Spectrum |
CN102875417A |
| Wiley ID |
1847071 |
![2-[3-fluoro-4-[4-(5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene](/api/spectrum/6sdo8rjfOIA/structure.png?h=300&w=458 "2-[3-fluoro-4-[4-(5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)phenyl]phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene")
