| SpectraBase Compound ID | 5JlFkk8ksAd |
|---|---|
| InChI | InChI=1S/C16H16N2O2.H2O/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18;/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20);1H2/t10-,14-;/m1./s1 |
| InChIKey | VAPRZIDWFJHKLR-BWTUWSSMSA-N |
| Mol Weight | 286.331 g/mol |
| Molecular Formula | C16H18N2O3 |
| Exact Mass | 286.131742 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsHwenbdt4T |
|---|---|
| Name | D-9,10-didehydro-6-methylergoline-8 beta- carboxylic acid, monohydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18N2O3 |
| InChI | InChI=1S/C16H16N2O2.H2O/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18;/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20);1H2/t10-,14-;/m1./s1 |
| InChIKey | VAPRZIDWFJHKLR-BWTUWSSMSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 40121M |
| Solvent | Polysol |