| SpectraBase Spectrum ID |
X2E4WygHFF |
| Name |
[(3R)-3-iodobutyl]benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.006195419 u |
| Formula |
C10H13I |
| InChI |
InChI=1S/C10H13I/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1 |
| InChIKey |
NDEHZONFJLYJEH-SECBINFHSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Molecular Weight |
260.118 g/mol |
| Optical Rotation |
[a]D23 = -72.8 (c = 0.14, CHCl3) |
| Quality |
69 |
| Reported Formula |
C10H13I |
| SMILES |
C1(CC[C@](I)(C)[H])=CC=CC=C1 |
| SPLASH |
splash10-0006-9300000000-4dac4d94451bf5f8aa18 |
| Sample Comments |
95.4% ee |
| Source of Spectrum |
ACI-57-SM16-R-4c (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890738 |
![[(3R)-3-iodobutyl]benzene](/api/spectrum/X2E4WygHFF/structure.png?h=300&w=458 "[(3R)-3-iodobutyl]benzene")
