| SpectraBase Compound ID | 2efnoy0vAhJ |
|---|---|
| InChI | InChI=1S/C18H22N4O3/c1-10(2)9-14-16(20-13-7-8-15(23)22-18(13)25)19-12-6-4-3-5-11(12)17(24)21-14/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,20)(H,21,24)(H,22,23,25)/t13?,14-/m0/s1 |
| InChIKey | HZEVAZOUDVRAJO-KZUDCZAMSA-N |
| Mol Weight | 342.4 g/mol |
| Molecular Formula | C18H22N4O3 |
| Exact Mass | 342.169191 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AAOkTRr87z |
|---|---|
| Name | Anacine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22N4O3 |
| InChI | InChI=1S/C18H22N4O3/c1-10(2)9-14-16(20-13-7-8-15(23)22-18(13)25)19-12-6-4-3-5-11(12)17(24)21-14/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,20)(H,21,24)(H,22,23,25)/t13?,14-/m0/s1 |
| InChIKey | HZEVAZOUDVRAJO-KZUDCZAMSA-N |
| Molecular Weight | 342.399 g/mol |
| SMILES | N1c2c(C(N[C@](\C1=N/C1C(NC(CC1)=O)=O)(CC(C)C)[H])=O)cccc2 |
| SPLASH | splash10-00no-0193000000-dca1e8d580af1c090843 |
| Source of Spectrum | X2-56-1716-1 |
| Wiley ID | 1605142 |