| SpectraBase Spectrum ID |
7E3I4EIHzAO |
| Name |
(2S)-2-iodooctane |
| Appearance |
Pale pink oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.037495547 u |
| Formula |
C8H17I |
| InChI |
InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey |
XFLOGTUFKZCFTK-QMMMGPOBSA-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 |
240.128 g/mol |
| Optical Rotation |
[a]D23 = 40.7 (c = 0.27, CHCl3) |
| Quality |
190 |
| Reported Formula |
C8H17I |
| SMILES |
[C@](I)(CCCCCC)(C)[H] |
| SPLASH |
splash10-0596-9100000000-69114bcd3602600d6521 |
| Sample Comments |
90.0% ee |
| Source of Spectrum |
ACI-57-SM14-S-4a (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890749 |
