| SpectraBase Spectrum ID |
8Hg4KSwz6NU |
| Name |
Laudanosine |
| CAS Registry Number |
20412-65-1 |
| Classification |
Opium alkaloid |
| 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 |
357.194008349 u |
| Formula |
C21H27NO4 |
| InChI |
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3 |
| InChIKey |
KGPAYJZAMGEDIQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
357.450 g/mol |
| Nominal Mass |
357 u |
| Quality |
997 |
| Retention Index |
2660 |
| SMILES |
C=12C(N(CCC2=CC(=C(C1)OC)OC)C)CC1=CC(=C(C=C1)OC)OC |
| SPLASH |
splash10-0a4i-4970000000-18aa449e6a657c8d45e9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Atracurium-A
N-Methyltetrahydropapaverine
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001810 |
