| SpectraBase Compound ID | LPSizTO7S1X |
|---|---|
| InChI | InChI=1S/C26H36N2O2/c1-4-30-22-12-10-11-21(18-22)19-26(29)27-24(17-20(2)3)23-13-6-7-14-25(23)28-15-8-5-9-16-28/h6-7,10-14,18,20,24H,4-5,8-9,15-17,19H2,1-3H3,(H,27,29)/t24-/m0/s1 |
| InChIKey | SURBTTRWGPZVGO-DEOSSOPVSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C26H36N2O2 |
| Exact Mass | 408.277678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WRcbieDXVY |
|---|---|
| Name | Repaglinide-A (-CO2) |
| Classification | Pharmaceutical drug artifact |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 408.277678405 u |
| Formula | C26H36N2O2 |
| InChI | InChI=1S/C26H36N2O2/c1-4-30-22-12-10-11-21(18-22)19-26(29)27-24(17-20(2)3)23-13-6-7-14-25(23)28-15-8-5-9-16-28/h6-7,10-14,18,20,24H,4-5,8-9,15-17,19H2,1-3H3,(H,27,29)/t24-/m0/s1 |
| InChIKey | SURBTTRWGPZVGO-DEOSSOPVSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 408.586 g/mol |
| Nominal Mass | 408 u |
| Quality | 970 |
| Retention Index | 3203 |
| SMILES | C=1(C(N2CCCCC2)=CC=CC1)[C@@](NC(CC=1C=C(C=CC1)OCC)=O)(CC(C)C)[H] |
| SPLASH | splash10-00vr-1932000000-6966c88e6dbef696b3f7 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (+)-2-Ethoxy-4-([(S)-alpha-iso-butyl-2-piperidino-benzyl]carbamoylmethyl)benzene |
| Technique | GC/MS |
| Wiley ID | DD2024_015212 |