| SpectraBase Compound ID | HjQh8Of65YX |
|---|---|
| InChI | InChI=1S/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)/t16-,17+,18-,19+,22? |
| InChIKey | XFZLBNDGZVRJNJ-NMYSLRMKSA-N |
| Mol Weight | 393.53 g/mol |
| Molecular Formula | C24H31N3O2 |
| Exact Mass | 393.241627 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1M43WkktQA9 |
|---|---|
| Name | ATHPINACA isomer 2 |
| Catalog Number | 19040 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31N3O2 |
| InChI | InChI=1S/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)/t16-,17+,18-,19+,22? |
| InChIKey | XFZLBNDGZVRJNJ-NMYSLRMKSA-N |
| Molecular Weight | 393.531 g/mol |
| SMILES | N(C(c1n[n](c2c1cccc2)CC1CCOCC1)=O)C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| SPLASH | splash10-0udi-4910000000-d911cf5d0997e9310780 |
| Source of Spectrum | CAY-2023-654-0 |
| Wiley ID | 1888613 |