SpectraBase Compound ID | H1hWCfgAVXD |
---|---|
InChI | InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3 |
InChIKey | VKEQBMCRQDSRET-UHFFFAOYSA-N |
Mol Weight | 207.23 g/mol |
Molecular Formula | C11H13NO3 |
Exact Mass | 207.089543 g/mol |
SpectraBase Spectrum ID | BgdG6TnxaTQ |
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Name | Methylone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 207.089543280 u |
Formula | C11H13NO3 |
InChI | InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3 |
InChIKey | VKEQBMCRQDSRET-UHFFFAOYSA-N |
Molecular Weight | 207.229 g/mol |
SMILES | N(C(C(C1=CC=C2OCOC2=C1)=O)C)C |
Spectrum/Structure Validation Score (Raman) | 0.984982 |