| SpectraBase Compound ID | 4emc8RsBkVm |
|---|---|
| InChI | InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) |
| InChIKey | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C31H33N3O6S |
| Exact Mass | 575.209007 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 8sUCb92hiSa |
|---|---|
| Name | Zafirlukast |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 10008282 |
| Lot Number | 148222-75 |
| Accessory | DurasamplIR II |
| Apodization Function | Triangular |
| CAS Registry Number | 107753-78-6 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H33N3O6S |
| IUPAC Name | [3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]-carbamic acid, cyclopentyl ester |
| InChI | InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) |
| InChIKey | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(c1cc(c(Cc2c3cc(ccc3[n](c2)C)NC(OC2CCCC2)=O)cc1)OC)=O)S(=O)(=O)c1c(cccc1)C |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |