| SpectraBase Compound ID | B03kn5XWcRy |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-4-14(3)9(2)13(15)10-5-6-11-12(7-10)17-8-16-11/h5-7,9H,4,8H2,1-3H3 |
| InChIKey | AKDKKEIHDXROHU-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nwiqt9qvEa |
|---|---|
| Name | N-Methylethylone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-4-14(3)9(2)13(15)10-5-6-11-12(7-10)17-8-16-11/h5-7,9H,4,8H2,1-3H3 |
| InChIKey | AKDKKEIHDXROHU-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C=1C(=CC=C2OCOC12)C(C(N(CC)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938835 |