| SpectraBase Spectrum ID |
IKfHKqez3LE |
| Name |
1-methyl-3-oxo-1-[3-[oxo-(propylthio)methyl]phenyl]-5-isobenzofurancarbothioic acid S-propyl ester |
| Alternate Name(s) |
3-keto-1-methyl-1-[3-(propylthio)carbonylphenyl]phthalan-5-carbothioic acid S-propyl ester
S-propyl 1-methyl-3-oxidanylidene-1-(3-propylsulfanylcarbonylphenyl)-2-benzofuran-5-carbothioate
S-propyl 1-methyl-3-oxo-1-(3-propylsulfanylcarbonylphenyl)-2-benzofuran-5-carbothioate
S-propyl 1-methyl-3-oxo-1-(3-propylsulfanylcarbonylphenyl)isobenzofuran-5-carbothioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24O4S2 |
| InChI |
InChI=1S/C23H24O4S2/c1-4-11-28-21(25)15-7-6-8-17(13-15)23(3)19-10-9-16(22(26)29-12-5-2)14-18(19)20(24)27-23/h6-10,13-14H,4-5,11-12H2,1-3H3 |
| InChIKey |
NCITWUCZRWYIQM-UHFFFAOYSA-N |
| Molecular Weight |
428.561 g/mol |
| SMILES |
C1(OC(=O)c2c1ccc(C(=O)SCCC)c2)(c1cc(C(=O)SCCC)ccc1)C |
| SPLASH |
splash10-0udi-0009000000-78f8caddfe047960768a |
| Source of Spectrum |
J-62-1787-2 |
| Wiley ID |
1380665 |
![1-methyl-3-oxo-1-[3-[oxo-(propylthio)methyl]phenyl]-5-isobenzofurancarbothioic acid S-propyl ester](/api/spectrum/IKfHKqez3LE/structure.png?h=300&w=458 "1-methyl-3-oxo-1-[3-[oxo-(propylthio)methyl]phenyl]-5-isobenzofurancarbothioic acid S-propyl ester")
