| SpectraBase Compound ID | Jq3VphphrbW |
|---|---|
| InChI | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25) |
| InChIKey | UNBRKDKAWYKMIV-UHFFFAOYSA-N |
| Mol Weight | 339.44 g/mol |
| Molecular Formula | C20H25N3O2 |
| Exact Mass | 339.194677 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EIhMX6qxxj8 |
|---|---|
| Name | METHYLERGOMETRINE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H25N3O2 |
| InChI | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25) |
| InChIKey | UNBRKDKAWYKMIV-UHFFFAOYSA-N |
| Instrument Name | DI |
| Molecular Weight | 339.439 g/mol |
| SMILES | N(C(CO)CC)C(C1CN(C2Cc3c4c(cccc4C2=C1)[nH]c3)C)=O |
| SPLASH | splash10-00e9-3961000000-7104107713b98a9d11eb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |