| SpectraBase Spectrum ID |
89mbLXFHf3C |
| Name |
Ergometrine |
| CAS Registry Number |
60-79-7 |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
325.179026991 u |
| Formula |
C19H23N3O2 |
| InChI |
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24) |
| InChIKey |
WVVSZNPYNCNODU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
325.412 g/mol |
| SMILES |
c1ccc2c3c1[nH]cc3CC1N(CC(C(NC(C)CO)=O)C=C21)C |
| SPLASH |
splash10-0ae9-5951000000-b17110daf0b11d9cbe5c |
| 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. |
| 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_751 |
