| SpectraBase Spectrum ID |
IWHtB4ZU4SW |
| Name |
(3R*,4S*)-2-Methyl-3-(4'-phenyl-1',2',4'-triazolidine-3',5'-dion-1'-yl)-1-octen-4-ol |
| Alternate Name(s) |
1-{(1R)-1-[(1S)-1-hydroxypentyl]-2-methyl-2-propenyl}-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 |
C17H23N3O3 |
| InChI |
InChI=1S/C17H23N3O3/c1-4-5-11-14(21)15(12(2)3)20-17(23)19(16(22)18-20)13-9-7-6-8-10-13/h6-10,14-15,21H,2,4-5,11H2,1,3H3,(H,18,22)/t14-,15+/m0/s1 |
| InChIKey |
DPIQQYGXSRBDCN-LSDHHAIUSA-N |
| Molecular Weight |
317.389 g/mol |
| SMILES |
N1C(N(C(N1[C@@]([C@@](O)(CCCC)[H])(C(=C)C)[H])=O)c1ccccc1)=O |
| SPLASH |
splash10-001i-0090000000-2d4cd0b75b212e9d4925 |
| Source of Spectrum |
J-64-2198-3 |
| Wiley ID |
1529727 |
