| SpectraBase Compound ID | IHHK1A3Iilh |
|---|---|
| InChI | InChI=1S/C28H38N2O4/c1-5-34-26-18-21(13-14-23(26)28(32)33-4)19-27(31)29-24(17-20(2)3)22-11-7-8-12-25(22)30-15-9-6-10-16-30/h7-8,11-14,18,20,24H,5-6,9-10,15-17,19H2,1-4H3,(H,29,31)/t24-/m0/s1 |
| InChIKey | SCBYNJUGBBPDPG-DEOSSOPVSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C28H38N2O4 |
| Exact Mass | 466.283158 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A7AdFvOTUlW |
|---|---|
| Name | Repaglinide ME |
| Classification | Pharmaceutical drug derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 466.283157708 u |
| Formula | C28H38N2O4 |
| InChI | InChI=1S/C28H38N2O4/c1-5-34-26-18-21(13-14-23(26)28(32)33-4)19-27(31)29-24(17-20(2)3)22-11-7-8-12-25(22)30-15-9-6-10-16-30/h7-8,11-14,18,20,24H,5-6,9-10,15-17,19H2,1-4H3,(H,29,31)/t24-/m0/s1 |
| InChIKey | SCBYNJUGBBPDPG-DEOSSOPVSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 466.622 g/mol |
| Nominal Mass | 466 u |
| Quality | 943 |
| Retention Index | 3609 |
| SMILES | C=1(C(N2CCCCC2)=CC=CC1)[C@@](NC(CC=1C=C(C(C(OC)=O)=CC1)OCC)=O)(CC(C)C)[H] |
| SPLASH | splash10-00di-0940300000-df7c0e4eb1c46e130735 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | methyl 2-ethoxy-4-(2-(((1S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate |
| Technique | GC/MS |
| Wiley ID | DD2024_009220 |