| SpectraBase Compound ID | J61B294PrHZ |
|---|---|
| InChI | InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16-,17-/m1/s1 |
| InChIKey | LGQCVMYAEFTEFN-CSMYWGQOSA-N |
| Mol Weight | 257.38 g/mol |
| Molecular Formula | C17H23NO |
| Exact Mass | 257.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDXgc0UBDXv |
|---|---|
| Name | N-Allylnormetazocine in kb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.177964364 u |
| Formula | C17H23NO |
| InChI | InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16-,17-/m1/s1 |
| InChIKey | LGQCVMYAEFTEFN-CSMYWGQOSA-N |
| Molecular Weight | 257.377 g/mol |
| SMILES | OC=1C=CC2=C(C1)[C@]1([C@@]([C@@](C2)(N(CC1)CC=C)[H])(C)[H])C |