![4-Isothiazolecarboxylic acid, 5-[[(1-methylethyl)amino]carbonyl]-3-phenyl-, methyl ester](/api/spectrum/8tENhdLXdJC/structure.png?h=300&w=458 "4-Isothiazolecarboxylic acid, 5-[[(1-methylethyl)amino]carbonyl]-3-phenyl-, methyl ester")
| SpectraBase Compound ID | 7f6Oiak42NR |
|---|---|
| InChI | InChI=1S/C15H16N2O3S/c1-9(2)16-14(18)13-11(15(19)20-3)12(17-21-13)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,18) |
| InChIKey | NFJAJIIJLOWDTJ-UHFFFAOYSA-N |
| Mol Weight | 304.36 g/mol |
| Molecular Formula | C15H16N2O3S |
| Exact Mass | 304.088164 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8tENhdLXdJC |
|---|---|
| Name | 4-Isothiazolecarboxylic acid, 5-[[(1-methylethyl)amino]carbonyl]-3-phenyl-, methyl ester |
| CAS Registry Number | 126242-91-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C15H16N2O3S |
| InChI | InChI=1S/C15H16N2O3S/c1-9(2)16-14(18)13-11(15(19)20-3)12(17-21-13)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,18) |
| InChIKey | NFJAJIIJLOWDTJ-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |