| SpectraBase Spectrum ID |
LlBShD9bc5y |
| Name |
(2S*,4R*)-3-Methylene-2-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-6-hepten-4-ol |
| Alternate Name(s) |
1-[(1S,3R)-3-hydroxy-1-methyl-2-methylene-5-hexenyl]-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/c1-4-8-14(20)11(2)12(3)19-16(22)18(15(21)17-19)13-9-6-5-7-10-13/h4-7,9-10,12,14,20H,1-2,8H2,3H3,(H,17,21)/t12-,14+/m0/s1 |
| InChIKey |
TZPSEWAJPCXUFG-GXTWGEPZSA-N |
| Molecular Weight |
301.346 g/mol |
| SMILES |
N1C(N(C(N1[C@](C([C@](O)(CC=C)[H])=C)(C)[H])=O)c1ccccc1)=O |
| SPLASH |
splash10-004i-0901000000-260ced6056c126549fe5 |
| Source of Spectrum |
J-64-2200-7 |
| Wiley ID |
1529711 |
