| SpectraBase Compound ID | 6vc5NbQEv6L |
|---|---|
| InChI | InChI=1S/C19H24N4O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,12H2,1-3H3,(H,21,24)/t16-/m0/s1 |
| InChIKey | WROCSMZNSLKYDI-INIZCTEOSA-N |
| Mol Weight | 356.43 g/mol |
| Molecular Formula | C19H24N4O3 |
| Exact Mass | 356.184841 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JTrSv8kA946 |
|---|---|
| Name | 4-cyano MMB-BUTINACA |
| Catalog Number | 33334 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H24N4O3 |
| InChI | InChI=1S/C19H24N4O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,12H2,1-3H3,(H,21,24)/t16-/m0/s1 |
| InChIKey | WROCSMZNSLKYDI-INIZCTEOSA-N |
| Molecular Weight | 356.426 g/mol |
| SMILES | N(C(c1n[n](c2ccccc12)CCCCC#N)=O)[C@](C(OC)=O)(C(C)C)[H] |
| SPLASH | splash10-004j-1390000000-228c52617518d15ea94b |
| Source of Spectrum | CAY-2023-48-0 |
| Wiley ID | 1888014 |