| SpectraBase Spectrum ID |
6rkjgol5B6N |
| Name |
2-(1-adamantylthiocarbamoylamino)nicotinic acid ethyl ester |
| Alternate Name(s) |
2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid ethyl ester
ethyl 2-(1-adamantylcarbamothioylamino)pyridine-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25N3O2S |
| InChI |
InChI=1S/C19H25N3O2S/c1-2-24-17(23)15-4-3-5-20-16(15)21-18(25)22-19-9-12-6-13(10-19)8-14(7-12)11-19/h3-5,12-14H,2,6-11H2,1H3,(H2,20,21,22,25) |
| InChIKey |
OLMBNLAOAOLSDX-UHFFFAOYSA-N |
| Molecular Weight |
359.488 g/mol |
| SMILES |
N(c1c(C(=O)OCC)cccn1)C(NC12CC3CC(C2)CC(C1)C3)=S |
| SPLASH |
splash10-052r-0908000000-197c775f4d931e1102b8 |
| Source of Spectrum |
Y-32-70-5 |
| Wiley ID |
1347754 |
