| SpectraBase Compound ID | InooWqoijjA |
|---|---|
| InChI | InChI=1S/C16H21N3O5/c1-11(20)17-9-14(21)19-13(8-12-6-4-3-5-7-12)16(23)18-10-15(22)24-2/h3-7,13H,8-10H2,1-2H3,(H,17,20)(H,18,23)(H,19,21) |
| InChIKey | ZTAIDJDGBMPCMR-UHFFFAOYSA-N |
| Mol Weight | 335.36 g/mol |
| Molecular Formula | C16H21N3O5 |
| Exact Mass | 335.148121 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2N84F8m3Yqw |
|---|---|
| Name | N-Acetyl-glycyl-phenylalanyl-glycine methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.148120783 u |
| Formula | C16H21N3O5 |
| InChI | InChI=1S/C16H21N3O5/c1-11(20)17-9-14(21)19-13(8-12-6-4-3-5-7-12)16(23)18-10-15(22)24-2/h3-7,13H,8-10H2,1-2H3,(H,17,20)(H,18,23)(H,19,21) |
| InChIKey | ZTAIDJDGBMPCMR-UHFFFAOYSA-N |
| Molecular Weight | 335.360 g/mol |
| SMILES | C(CNC(C(NC(CNC(=O)C)=O)CC1=CC=CC=C1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928926 |