| SpectraBase Spectrum ID |
40mFJYhY1jU |
| Name |
Propanedioic acid, [2-[(4-methylphenyl)sulfonyl]ethylidene]-, dimethyl ester |
| Alternate Name(s) |
dimethyl 2-{2-[(4-methylphenyl)sulfonyl]ethylidene}malonate |
| CAS Registry Number |
108895-65-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O6S |
| InChI |
InChI=1S/C14H16O6S/c1-10-4-6-11(7-5-10)21(17,18)9-8-12(13(15)19-2)14(16)20-3/h4-8H,9H2,1-3H3 |
| InChIKey |
MQSFUUGPUGJTTD-UHFFFAOYSA-N |
| Molecular Weight |
312.336 g/mol |
| SMILES |
C(=CCS(c1ccc(cc1)C)(=O)=O)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-001i-0090000000-c2123e8c070c373ea4c7 |
| Source of Spectrum |
J-52-4268-12 |
| Wiley ID |
1312938 |
![Propanedioic acid, [2-[(4-methylphenyl)sulfonyl]ethylidene]-, dimethyl ester](/api/spectrum/40mFJYhY1jU/structure.png?h=300&w=458 "Propanedioic acid, [2-[(4-methylphenyl)sulfonyl]ethylidene]-, dimethyl ester")
