| SpectraBase Spectrum ID |
L5X5zDicqBH |
| Name |
Emetine |
| CAS Registry Number |
483-18-1 |
| Classification |
Emetic
Ingredient of Ipecac |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
480.298807772 u |
| Formula |
C29H40N2O4 |
| InChI |
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3 |
| InChIKey |
AUVVAXYIELKVAI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
480.649 g/mol |
| SMILES |
CCC1C(CC2c3cc(OC)c(cc3CCN2)OC)CC2N(C1)CCc1cc(OC)c(cc21)OC |
| SPLASH |
splash10-0006-1890100000-432568bbe9167cc3610c |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5611 |
