| SpectraBase Compound ID | FcLuiNEmE7l |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-4-13-9(12)6-10-8(11)5-7(2)3/h7H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | PGMDZBRBRKBMTB-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7exJkYpmL8z |
|---|---|
| Name | Glycine, N-isovaleroyl-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.120843408 u |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-4-13-9(12)6-10-8(11)5-7(2)3/h7H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | PGMDZBRBRKBMTB-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | C(=O)(OCC)CNC(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983787 |