| SpectraBase Compound ID | KTf0BRrahFR |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-4-21-13-8-7-12(10-14(13)20-3)16(19)11(2)17-9-5-6-15(17)18/h7-8,10-11H,4-6,9H2,1-3H3 |
| InChIKey | MRQHCTHUENHKBV-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hfxa5zdTzUD |
|---|---|
| Name | Mdppp-m et P848 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-4-21-13-8-7-12(10-14(13)20-3)16(19)11(2)17-9-5-6-15(17)18/h7-8,10-11H,4-6,9H2,1-3H3 |
| InChIKey | MRQHCTHUENHKBV-UHFFFAOYSA-N |
| SMILES | C=1(C=C(C(C(C)N2CCCC2=O)=O)C=CC1OCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867433 |