SpectraBase Compound ID | GGxfZoQjRe4 |
---|---|
InChI | InChI=1S/C11H17NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10-13H,3H2,1-2H3/t10-,11+/m0/s1 |
InChIKey | ROPFLNLFWBUBCT-WDEREUQCSA-N |
Mol Weight | 179.26 g/mol |
Molecular Formula | C11H17NO |
Exact Mass | 179.131014 g/mol |
SpectraBase Spectrum ID | 55eBkBoqzXv |
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Name | Buphedrone metabolite |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.131014170 u |
Formula | C11H17NO |
InChI | InChI=1S/C11H17NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10-13H,3H2,1-2H3/t10-,11+/m0/s1 |
InChIKey | ROPFLNLFWBUBCT-WDEREUQCSA-N |
Molecular Weight | 179.263 g/mol |
SMILES | [C@@]([C@](CC)(NC)[H])(C=1C=CC=CC1)(O)[H] |