| SpectraBase Compound ID | Iwiyuc8aDSw |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-3-10(14-4-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChIKey | YERSNXHEOIYEGX-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2J1PPGIymzn |
|---|---|
| Name | Eutylone |
| 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/c1-3-10(14-4-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3 |
| InChIKey | YERSNXHEOIYEGX-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N(C(C(C1=CC=2OCOC2C=C1)=O)CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.97259 |