| SpectraBase Spectrum ID |
5ZtmhcrEwnI |
| Name |
(S)-2-(benzo[b]thiophen-5-ylmethyl)-N-cyclohexylhexanamide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.196985731 u |
| Formula |
C21H29NOS |
| InChI |
InChI=1S/C21H29NOS/c1-2-3-7-18(21(23)22-19-8-5-4-6-9-19)15-16-10-11-20-17(14-16)12-13-24-20/h10-14,18-19H,2-9,15H2,1H3,(H,22,23)/t18-/m0/s1 |
| InChIKey |
ZLWSHUZCSLIRAO-SFHVURJKSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
343.529 g/mol |
| Optical Rotation |
[a]D20 = +33.1 (c = 1.05, CHCl3) |
| Quality |
13 |
| Reported Formula |
C21H29NOS |
| SMILES |
N(C([C@](CC1=CC2=C(C=C1)SC=C2)(CCCC)[H])=O)C1CCCCC1 |
| SPLASH |
splash10-0002-0910000000-26729b65f25c05207133 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM82-(S)-4y (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908252 |
![(S)-2-(benzo[b]thiophen-5-ylmethyl)-N-cyclohexylhexanamide](/api/spectrum/5ZtmhcrEwnI/structure.png?h=300&w=458 "(S)-2-(benzo[b]thiophen-5-ylmethyl)-N-cyclohexylhexanamide")
