| SpectraBase Compound ID | I3qakjmIFzz |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(14(3)10(2)15)13(16)11-6-5-7-12(8-11)17-4/h5-9H,1-4H3 |
| InChIKey | NZOOJEWJRVLXNT-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 | IMkXA38Gh3v |
|---|---|
| Name | 3-Methoxymethcathinone, N-acetyl- |
| 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/c1-9(14(3)10(2)15)13(16)11-6-5-7-12(8-11)17-4/h5-9H,1-4H3 |
| InChIKey | NZOOJEWJRVLXNT-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1=C(C=CC=C1C(=O)C(C)N(C)C(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964884 |