| SpectraBase Spectrum ID |
5FHUeIZ0xMG |
| Name |
(S)-butyl(1-(4-methoxyphenyl)pent-4-en-2-yl)sulfane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.154786566 u |
| Formula |
C16H24OS |
| InChI |
InChI=1S/C16H24OS/c1-4-6-12-18-16(7-5-2)13-14-8-10-15(17-3)11-9-14/h5,8-11,16H,2,4,6-7,12-13H2,1,3H3/t16-/m0/s1 |
| InChIKey |
OCCWYIVTAAIPLP-INIZCTEOSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
264.427 g/mol |
| Optical Rotation |
[a]D20 = -6.5 (c = 1.24, CHCl3) |
| Quality |
102 |
| Reported Formula |
C16H24OS |
| SMILES |
C1(OC)=CC=C(C=C1)C[C@@](SCCCC)(CC=C)[H] |
| SPLASH |
splash10-00dl-4900000000-c4bcb6e672f3c24511e0 |
| Sample Comments |
91% ee |
| Source of Spectrum |
ACI-62-SM80-(S)-4w (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908250 |
