| SpectraBase Spectrum ID |
BvzXHVGPbYQ |
| Name |
(S)-4-(2-iodopropyl)benzonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10IN |
| InChI |
InChI=1S/C10H10IN/c1-8(11)6-9-2-4-10(7-12)5-3-9/h2-5,8H,6H2,1H3/t8-/m0/s1 |
| InChIKey |
HNCIODXAVWHVIF-QMMMGPOBSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
271.101 g/mol |
| Optical Rotation |
[a]D20 = +45.9 (c = 0.97, CHCl3) |
| Quality |
52 |
| Reported Formula |
C10H10NI |
| SMILES |
C=1C=C(C=CC1C#N)C[C@@](I)(C)[H] |
| SPLASH |
splash10-014i-0900000000-03d930e672a0b9e26e3a |
| Sample Comments |
98% ee |
| Source of Spectrum |
ACI-62-SM38-(S)-2f (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908227 |
