| SpectraBase Compound ID | IBxRqYxjdzI |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3 |
| InChIKey | NIYQOTCYXGXMPI-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GkDzRYLNXN2 |
|---|---|
| Name | Mdppp |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3 |
| InChIKey | NIYQOTCYXGXMPI-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C(C(C)N1CCCC1)(=O)C1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816507 |