| SpectraBase Compound ID | EhUkS102Cvu |
|---|---|
| InChI | InChI=1S/C18H23N3O3/c22-15-2-1-14(16(23)6-15)10-19-21-17(24)20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,22-23H,3-5,7-9H2,(H2,20,21,24)/b19-10+/t11-,12+,13-,18- |
| InChIKey | SSLWUPTVSNXTNB-BXNYXNPRSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C18H23N3O3 |
| Exact Mass | 329.173942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsbQantv3Xo |
|---|---|
| Name | 2,4-Dihydroxybenzaldehyde N-(1-adamantyl)semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.173941610 u |
| Formula | C18H23N3O3 |
| InChI | InChI=1S/C18H23N3O3/c22-15-2-1-14(16(23)6-15)10-19-21-17(24)20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,22-23H,3-5,7-9H2,(H2,20,21,24)/b19-10+/t11-,12+,13-,18- |
| InChIKey | SSLWUPTVSNXTNB-BXNYXNPRSA-N |
| Molecular Weight | 329.400 g/mol |
| SMILES | N(C(N\N=C\C1=C(C=C(C=C1)O)O)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |