| SpectraBase Compound ID | LtMFRBgIWNJ |
|---|---|
| InChI | InChI=1S/C13H11NO4S/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3 |
| InChIKey | VBGFXPUHVNMJAD-UHFFFAOYSA-N |
| Mol Weight | 277.29 g/mol |
| Molecular Formula | C13H11NO4S |
| Exact Mass | 277.040879 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7q3MS2G96Hn |
|---|---|
| Name | 4,5-Isothiazoledicarboxylic acid, 3-phenyl-, dimethyl ester |
| CAS Registry Number | 27545-53-5 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H11NO4S |
| InChI | InChI=1S/C13H11NO4S/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3 |
| InChIKey | VBGFXPUHVNMJAD-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Dimethyl 3-phenylisothiazole-4,5-dicarboxylate |
| Technique | Film |