| SpectraBase Spectrum ID |
I4PuzKHVCxU |
| Name |
Apomorphine |
| CAS Registry Number |
58-00-4 |
| Classification |
Pharmaceutical drug, emetic, erectil dysfunction |
| 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 |
267.125928789 u |
| Formula |
C17H17NO2 |
| InChI |
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3 |
| InChIKey |
VMWNQDUVQKEIOC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
267.328 g/mol |
| Nominal Mass |
267 u |
| Quality |
974 |
| Retention Index |
2530 |
| SMILES |
OC1=C(C=CC=2CC3C4=C(C12)C=CC=C4CCN3C)O |
| SPLASH |
splash10-014i-1490000000-5b91e751ab8a02a53881 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo-[de,g]quinoline-10,11-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000174 |
