| SpectraBase Compound ID | 3HeN2ne8Aez |
|---|---|
| InChI | InChI=1S/C20H26N2O3/c1-5-6-9-12-22-13-15(14-10-7-8-11-16(14)22)18(23)21-17(19(24)25)20(2,3)4/h5,7-8,10-11,13,17H,1,6,9,12H2,2-4H3,(H,21,23)(H,24,25)/t17-/m1/s1 |
| InChIKey | PGYFXNOMOHOPIM-QGZVFWFLSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C20H26N2O3 |
| Exact Mass | 342.194343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 90MhumrF6UT |
|---|---|
| Name | MDMB-4en-PICA butanoic acid metabolite |
| Catalog Number | 28943 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26N2O3 |
| InChI | InChI=1S/C20H26N2O3/c1-5-6-9-12-22-13-15(14-10-7-8-11-16(14)22)18(23)21-17(19(24)25)20(2,3)4/h5,7-8,10-11,13,17H,1,6,9,12H2,2-4H3,(H,21,23)(H,24,25)/t17-/m1/s1 |
| InChIKey | PGYFXNOMOHOPIM-QGZVFWFLSA-N |
| Molecular Weight | 342.439 g/mol |
| SMILES | N(C(=O)c1c[n](CCCC=C)c2c1cccc2)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-03xr-0390000000-7cdf968538f1f8868059 |
| Source of Spectrum | CAY-2023-233-0 |
| Synonyms | MDMB-4en-PICA 3,3-dimethylbutanoic acid metabolite |
| Wiley ID | 1888199 |