| SpectraBase Spectrum ID |
8I0KvdivgOm |
| Name |
Naloxone |
| CAS Registry Number |
465-65-6 |
| Classification |
Narcotic antagonist |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 |
| InChIKey |
UZHSEJADLWPNLE-GRGSLBFTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
327.380 g/mol |
| Nominal Mass |
327 u |
| Quality |
996 |
| Retention Index |
2640 |
| SMILES |
OC=1C2=C3[C@@]45[C@@](CCC([C@@]5(O2)[H])=O)([C@@](CC3=CC1)(N(CC4)CC=C)[H])O |
| SPLASH |
splash10-004i-2798000000-246424767130b7098dab |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
17-allyl-6-deoxy-7,8-dihydro-14-hydroxy-6-oxo-17-normorphine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031009 |
