| SpectraBase Compound ID | JJWBEvG5kY3 |
|---|---|
| InChI | InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32) |
| InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
| Mol Weight | 481.51 g/mol |
| Molecular Formula | C27H23N5O4 |
| Exact Mass | 481.175004 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | Ir6q9uAAd10 |
|---|---|
| Name | Pranlukast |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 10008319 |
| Lot Number | 147164-55 |
| Accessory | DurasamplIR II |
| Apodization Function | Triangular |
| CAS Registry Number | 103177-37-3 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H23N5O4 |
| IUPAC Name | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)benzamide |
| InChI | InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32) |
| InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(=O)c1ccc(cc1)OCCCCc1ccccc1)c1c2O\C(c3nnn[nH]3)=C/C(c2ccc1)=O |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | ONO-1078; Ultair |
| Technique | ATR-Neat |