| SpectraBase Spectrum ID |
1fQtbd0lrS9 |
| Name |
(S)-6-(sec-Butyl)-3-methyl-2-oxo-2H-pyran-4-yl 4-Methylbenzenesulfonate |
| Appearance |
Pale yellow oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O5S |
| InChI |
InChI=1S/C17H20O5S/c1-5-12(3)15-10-16(13(4)17(18)21-15)22-23(19,20)14-8-6-11(2)7-9-14/h6-10,12H,5H2,1-4H3/t12-/m0/s1 |
| InChIKey |
FCNRYJGINCNVFF-LBPRGKRZSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
HP 7890B-5977A inert mass detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800621 |
| Molecular Weight |
336.402 g/mol |
| Optical Rotation |
[a]D22.0 = +5.7 (c = 0.23, MeOH) |
| Quality |
178 |
| Reported Formula |
C17H20O5S |
| SMILES |
CC[C@](C)(C1=CC(=C(C(O1)=O)C)OS(C1=CC=C(C=C1)C)(=O)=O)[H] |
| SPLASH |
splash10-0a4l-7944000000-d675ce84f6bd1a34f34b |
| Source of Spectrum |
K1-2018-3152-19 (DOI: 10.1002/ejoc.201800621) |
| Thin-Layer Chromatography |
0.51 (cyclohexane/EtOAc, 2:1) |
| Wiley ID |
1894074 |
