| SpectraBase Spectrum ID |
JFPQ42vFUPT |
| Name |
8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide |
| Alternate Name(s) |
3-{[1'-(Methoxycarbonyl)methylthio]butyl}-1,3,4,5-tetrahydro-benzoisofuran-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O4S |
| InChI |
InChI=1S/C15H20O4S/c1-3-6-12(20-9-13(16)18-2)14-10-7-4-5-8-11(10)15(17)19-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3 |
| InChIKey |
VMPPJJGIVNTAPW-UHFFFAOYSA-N |
| Molecular Weight |
296.381 g/mol |
| SMILES |
C1(C2=C(CCC=C2)C(O1)C(SCC(=O)OC)CCC)=O |
| SPLASH |
splash10-0r0r-8900000000-6c2dc8f149e831ce03f0 |
| Source of Spectrum |
G4-58-1053-2 |
| Wiley ID |
1605921 |
![8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide](/api/spectrum/JFPQ42vFUPT/structure.png?h=300&w=458 "8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide")
