| SpectraBase Spectrum ID |
9XWDxnW7qrh |
| Name |
[(3R)-3-[(1R)-2-iodocyclopent-2-en-1-yl]butyl]benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19I |
| InChI |
InChI=1S/C15H19I/c1-12(14-8-5-9-15(14)16)10-11-13-6-3-2-4-7-13/h2-4,6-7,9,12,14H,5,8,10-11H2,1H3/t12-,14-/m1/s1 |
| InChIKey |
CRKBBEUVRIHTJT-TZMCWYRMSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201811330 |
| Molecular Weight |
326.221 g/mol |
| Optical Rotation |
[a]D20 = +11.4 (c = 0.5, CHCl3) |
| Reported Formula |
C15H19I |
| SMILES |
c1(CC[C@]([C@@]2(C(=CCC2)I)[H])(C)[H])ccccc1 |
| SPLASH |
splash10-0007-9200000000-e2ece786d38b4c059a5e |
| Sample Comments |
dr = 90:10, 99% ee, 99% ee |
| Source of Spectrum |
ACI-58-SM27-3R,4R-6f |
| Wiley ID |
1840555 |
![[(3R)-3-[(1R)-2-iodocyclopent-2-en-1-yl]butyl]benzene](/api/spectrum/9XWDxnW7qrh/structure.png?h=300&w=458 "[(3R)-3-[(1R)-2-iodocyclopent-2-en-1-yl]butyl]benzene")
