| SpectraBase Compound ID | I0HABztP35C |
|---|---|
| InChI | InChI=1S/C18H18N2O5/c21-14-8-6-12(7-9-14)10-15(18(25)19-11-16(22)23)20-17(24)13-4-2-1-3-5-13/h1-9,15,21H,10-11H2,(H,19,25)(H,20,24)(H,22,23) |
| InChIKey | SCWYNNSIJTVQRA-UHFFFAOYSA-N |
| Mol Weight | 342.35 g/mol |
| Molecular Formula | C18H18N2O5 |
| Exact Mass | 342.121572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HIuE4vOFNnN |
|---|---|
| Name | N-Benzoyl-tyrosinyl-glycine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.121571683 u |
| Formula | C18H18N2O5 |
| InChI | InChI=1S/C18H18N2O5/c21-14-8-6-12(7-9-14)10-15(18(25)19-11-16(22)23)20-17(24)13-4-2-1-3-5-13/h1-9,15,21H,10-11H2,(H,19,25)(H,20,24)(H,22,23) |
| InChIKey | SCWYNNSIJTVQRA-UHFFFAOYSA-N |
| Molecular Weight | 342.351 g/mol |
| SMILES | C(C(C(=O)NCC(O)=O)NC(=O)C1=CC=CC=C1)C1=CC=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930952 |