![(1S,2S)-Cyclopentane-1,2-dicarboxylic acid bis[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide]](/api/spectrum/AXZGG5eeCnw/structure.png?h=300&w=458 "(1S,2S)-Cyclopentane-1,2-dicarboxylic acid bis[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide]")
| SpectraBase Compound ID | AJHMPH357Bx |
|---|---|
| InChI | InChI=1S/C19H36N2O4/c1-18(2,3)14(10-22)20-16(24)12-8-7-9-13(12)17(25)21-15(11-23)19(4,5)6/h12-15,22-23H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t12-,13-,14+,15+/m0/s1 |
| InChIKey | XASGRQRHFMGELF-BYNSBNAKSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C19H36N2O4 |
| Exact Mass | 356.267508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXZGG5eeCnw |
|---|---|
| Name | (1S,2S)-Cyclopentane-1,2-dicarboxylic acid bis[(2'-hydroxy-1'-(S)-tert-buutylethyl)amide] |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.267507643 u |
| Formula | C19H36N2O4 |
| InChI | InChI=1S/C19H36N2O4/c1-18(2,3)14(10-22)20-16(24)12-8-7-9-13(12)17(25)21-15(11-23)19(4,5)6/h12-15,22-23H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t12-,13-,14+,15+/m0/s1 |
| InChIKey | XASGRQRHFMGELF-BYNSBNAKSA-N |
| Molecular Weight | 356.507 g/mol |
| SMILES | C(N[C@@](C(C)(C)C)(CO)[H])([C@@]1([C@@](C(N[C@@](C(C)(C)C)(CO)[H])=O)(CCC1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863423 |