| SpectraBase Compound ID | Jv2EgOlMeGH |
|---|---|
| InChI | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
| InChIKey | DQCKKXVULJGBQN-XFWGSAIBSA-N |
| Mol Weight | 341.41 g/mol |
| Molecular Formula | C20H23NO4 |
| Exact Mass | 341.162708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B8AZjavuZ4s |
|---|---|
| Name | Naltrexone |
| CAS Registry Number | 16590-41-3 |
| Classification | Narcotic antagonist |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 341.162708221 u |
| Formula | C20H23NO4 |
| InChI | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
| InChIKey | DQCKKXVULJGBQN-XFWGSAIBSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 341.407 g/mol |
| Nominal Mass | 341 u |
| Quality | 990 |
| Retention Index | 2727 |
| SMILES | OC=1C2=C3[C@@]45[C@@](CCC([C@@]5(O2)[H])=O)([C@@](CC3=CC1)(N(CC4)CC1CC1)[H])O |
| SPLASH | splash10-052f-8976000000-8ae40ee6225a7b89fd84 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Nemexin 17-Cyclopropylmethyl-6-deoxy-7,8-dihydro-14-hydroxy-6-oxo-17-normorphine |
| Technique | GC/MS |
| Wiley ID | DD2024_003160 |