| SpectraBase Compound ID | InMERnq2kkZ |
|---|---|
| InChI | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| Mol Weight | 501.7 g/mol |
| Molecular Formula | C32H39NO4 |
| Exact Mass | 501.287909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JUk7SfiQG9A |
|---|---|
| Name | Fexofenadine breakdown (439) |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C32H39NO4 |
| InChI | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| SMILES | OC(C(c1ccc(C(CCCN2CCC(CC2)C(c2ccccc2)(O)c2ccccc2)O)cc1)(C)C)=O |
| SPLASH | splash10-001i-6590000000-101c9f5b753c4188e0f5 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |