| SpectraBase Spectrum ID |
42m7HNoEo7x |
| Name |
(3R*,4S*)-2-Methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1,6-heptadien-4-ol |
| Alternate Name(s) |
1-[(1R,2S)-2-hydroxy-1-isopropenyl-4-pentenyl]-4-phenyl-1,2,4-triazolidine-3,5-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19N3O3 |
| InChI |
InChI=1S/C16H19N3O3/c1-4-8-13(20)14(11(2)3)19-16(22)18(15(21)17-19)12-9-6-5-7-10-12/h4-7,9-10,13-14,20H,1-2,8H2,3H3,(H,17,21)/t13-,14+/m0/s1 |
| InChIKey |
FJFZIVPCSJEJCV-UONOGXRCSA-N |
| Molecular Weight |
301.346 g/mol |
| SMILES |
N1C(N(C(N1[C@@]([C@@](O)(CC=C)[H])(C(=C)C)[H])=O)c1ccccc1)=O |
| SPLASH |
splash10-001i-0091000000-e1896e359e07fee5abd5 |
| Source of Spectrum |
J-64-2199-3 |
| Wiley ID |
1529721 |
