| SpectraBase Spectrum ID |
6yriS3vxlkn |
| Name |
(E)-2-[(S)-(4-Methylphenyl)sulfinyl]-3-phenyl-2-propenoic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.128965739 u |
| Formula |
C20H22O3S |
| InChI |
InChI=1S/C20H22O3S/c1-15-10-12-17(13-11-15)24(22)18(19(21)23-20(2,3)4)14-16-8-6-5-7-9-16/h5-14H,1-4H3/b18-14+ |
| InChIKey |
FOFVGLNRZOHLTN-NBVRZTHBSA-N |
| Molecular Weight |
342.453 g/mol |
| SMILES |
C1([S@@](\C(C(OC(C)(C)C)=O)=C/C=2C=CC=CC2)=O)=CC=C(C=C1)C |
![(E)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenyl-2-propenoic acid tert-butyl ester](/api/spectrum/6yriS3vxlkn/structure.png?h=300&w=458 "(E)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenyl-2-propenoic acid tert-butyl ester")
