| SpectraBase Compound ID | C5PzDfgbQzp |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1 |
| InChIKey | PCCPERGCFKIYIS-AWEZNQCLSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1mzGJfStbJL |
|---|---|
| Name | Mesopram |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1 |
| InChIKey | PCCPERGCFKIYIS-AWEZNQCLSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | C1(O[C@](CN1)(C)C1=CC(=C(C=C1)OC)OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978545 |