| SpectraBase Compound ID | I50czj3IdvA |
|---|---|
| InChI | InChI=1S/C24H31N3O2/c28-23(25-24-12-17-9-18(13-24)11-19(10-17)14-24)22-20-3-1-2-4-21(20)27(26-22)15-16-5-7-29-8-6-16/h1-4,16-19H,5-15H2,(H,25,28)/t17-,18+,19-,24- |
| InChIKey | WFDRVDUEMGJILX-PCFUMONKSA-N |
| Mol Weight | 393.53 g/mol |
| Molecular Formula | C24H31N3O2 |
| Exact Mass | 393.241627 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2kw5DhkyTg |
|---|---|
| Name | ATHPINACA isomer 1 |
| Catalog Number | 18365 |
| CAS Registry Number | 140073-96-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31N3O2 |
| InChI | InChI=1S/C24H31N3O2/c28-23(25-24-12-17-9-18(13-24)11-19(10-17)14-24)22-20-3-1-2-4-21(20)27(26-22)15-16-5-7-29-8-6-16/h1-4,16-19H,5-15H2,(H,25,28)/t17-,18+,19-,24- |
| InChIKey | WFDRVDUEMGJILX-PCFUMONKSA-N |
| Molecular Weight | 393.531 g/mol |
| SMILES | N(C(c1n[n](c2c1cccc2)CC1CCOCC1)=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |
| SPLASH | splash10-0006-8952000000-c066ec2ea1dd3d6c3907 |
| Source of Spectrum | CAY-2023-967-0 |
| Wiley ID | 1888924 |