| SpectraBase Spectrum ID |
B7rCc5G9ZT0 |
| Name |
(S)-5-(2-iodohexyl)benzo[b]thiophene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.009566721 u |
| Formula |
C14H17IS |
| InChI |
InChI=1S/C14H17IS/c1-2-3-4-13(15)10-11-5-6-14-12(9-11)7-8-16-14/h5-9,13H,2-4,10H2,1H3/t13-/m0/s1 |
| InChIKey |
PXWKSQKMVFVTFV-ZDUSSCGKSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
344.254 g/mol |
| Optical Rotation |
[a]D20 = +2.3 (c = 1.3, CHCl3) |
| Quality |
30 |
| Reported Formula |
C14H17IS |
| SMILES |
[C@](I)(CC1=CC2=C(SC=C2)C=C1)(CCCC)[H] |
| SPLASH |
splash10-0002-0900000000-40d4d7148cb4ad7526a6 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM41-(S)-2j (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908229 |
![(S)-5-(2-iodohexyl)benzo[b]thiophene](/api/spectrum/B7rCc5G9ZT0/structure.png?h=300&w=458 "(S)-5-(2-iodohexyl)benzo[b]thiophene")
