| SpectraBase Spectrum ID |
9irxULJd75P |
| Name |
Heptanedioic acid, 4-formyl-4-[2-(phenylthio)ethyl]-, dimethyl ester |
| CAS Registry Number |
113541-83-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24O5S |
| InChI |
InChI=1S/C18H24O5S/c1-22-16(20)8-10-18(14-19,11-9-17(21)23-2)12-13-24-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3 |
| InChIKey |
PCEWTPHEKHMISF-UHFFFAOYSA-N |
| Molecular Weight |
352.445 g/mol |
| SMILES |
C(=O)(CCC(C=O)(CCC(=O)OC)CCSc1ccccc1)OC |
| SPLASH |
splash10-0229-1903000000-4804601f209b6a7c2d0e |
| Source of Spectrum |
F-42-6081-0 |
| Synonyms |
4-formyl-4-[2-(phenylthio)ethyl]heptanedioic acid dimethyl ester
Dimethyl 4-formyl-4-(2-phenylsulfanylethyl)heptanedioate
Dimethyl 4-methanoyl-4-(2-phenylsulfanylethyl)heptanedioate |
| Wiley ID |
1343123 |
![Heptanedioic acid, 4-formyl-4-[2-(phenylthio)ethyl]-, dimethyl ester](/api/spectrum/9irxULJd75P/structure.png?h=300&w=458 "Heptanedioic acid, 4-formyl-4-[2-(phenylthio)ethyl]-, dimethyl ester")
