| SpectraBase Compound ID | E2We4oQB4fj |
|---|---|
| InChI | InChI=1S/C21H31N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h9-10,12-13,18H,6-8,11,14H2,1-5H3,(H,22,25)/t18-/m1/s1 |
| InChIKey | HKKKXLZFEZHHFC-GOSISDBHSA-N |
| Mol Weight | 373.5 g/mol |
| Molecular Formula | C21H31N3O3 |
| Exact Mass | 373.236542 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BopNGHWlA1G |
|---|---|
| Name | EDMB-PINACA |
| Catalog Number | 33663 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31N3O3 |
| InChI | InChI=1S/C21H31N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h9-10,12-13,18H,6-8,11,14H2,1-5H3,(H,22,25)/t18-/m1/s1 |
| InChIKey | HKKKXLZFEZHHFC-GOSISDBHSA-N |
| Molecular Weight | 373.497 g/mol |
| SMILES | N(C(c1n[n](c2ccccc12)CCCCC)=O)[C@](C(OCC)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-014i-1392000000-fb98478f638738c00170 |
| Source of Spectrum | CAY-2023-56-0 |
| Wiley ID | 1888022 |