| SpectraBase Compound ID | JGJE8pDwz9W |
|---|---|
| InChI | InChI=1S/C18H16N2O7/c21-15(22)10-14(11-4-2-1-3-5-11)16(18(24)25)19-17(23)12-6-8-13(9-7-12)20(26)27/h1-9,14,16H,10H2,(H,19,23)(H,21,22)(H,24,25) |
| InChIKey | LZDNCOZQOXPZPP-UHFFFAOYSA-N |
| Mol Weight | 372.33 g/mol |
| Molecular Formula | C18H16N2O7 |
| Exact Mass | 372.095751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6yfFZpdJbst |
|---|---|
| Name | p-Nitrobenzoyl-dl-3-phenyl-dl-glutamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.095750856 u |
| Formula | C18H16N2O7 |
| InChI | InChI=1S/C18H16N2O7/c21-15(22)10-14(11-4-2-1-3-5-11)16(18(24)25)19-17(23)12-6-8-13(9-7-12)20(26)27/h1-9,14,16H,10H2,(H,19,23)(H,21,22)(H,24,25) |
| InChIKey | LZDNCOZQOXPZPP-UHFFFAOYSA-N |
| Molecular Weight | 372.333 g/mol |
| SMILES | C1=CC(=CC=C1)C(CC(=O)O)C(C(O)=O)NC(C1=CC=C(N(=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848772 |