| SpectraBase Spectrum ID |
D6aTyIimCEN |
| Name |
[(3R)-3-[(1R)-2-iodocyclohex-2-en-1-yl]butyl]benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21I |
| InChI |
InChI=1S/C16H21I/c1-13(15-9-5-6-10-16(15)17)11-12-14-7-3-2-4-8-14/h2-4,7-8,10,13,15H,5-6,9,11-12H2,1H3/t13-,15-/m1/s1 |
| InChIKey |
YDUBJUOBSXVBEF-UKRRQHHQSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201811330 |
| Molecular Weight |
340.248 g/mol |
| Optical Rotation |
[a]D20 = +15.9 (c = 1.0, CHCl3) |
| Reported Formula |
C16H21I |
| SMILES |
c1(CC[C@]([C@@]2(C(=CCCC2)I)[H])(C)[H])ccccc1 |
| SPLASH |
splash10-0006-9400000000-519127e92a244aff84c8 |
| Sample Comments |
dr = 90:10, 99% ee, 99% ee |
| Source of Spectrum |
ACI-58-SM26-3R,4R-6e |
| Wiley ID |
1840554 |
![[(3R)-3-[(1R)-2-iodocyclohex-2-en-1-yl]butyl]benzene](/api/spectrum/D6aTyIimCEN/structure.png?h=300&w=458 "[(3R)-3-[(1R)-2-iodocyclohex-2-en-1-yl]butyl]benzene")
