| SpectraBase Spectrum ID |
5V8d1QmV7Uv |
| Name |
Dibutylone-A (-2H) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.105193344 u |
| Formula |
C13H15NO3 |
| InChI |
InChI=1S/C13H15NO3/c1-4-10(14(2)3)13(15)9-5-6-11-12(7-9)17-8-16-11/h4-7H,8H2,1-3H3/b10-4- |
| InChIKey |
OVYMWSBHGTYEPZ-WMZJFQQLSA-N |
| Molecular Weight |
233.267 g/mol |
| SMILES |
C=1(C(\C(N(C)C)=C\C)=O)C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82389 |
