| SpectraBase Spectrum ID |
75RJTUVO8QE |
| Name |
3-(2,5-Diketopiperazino)propionitrile |
| Alternate Name(s) |
3-(2,5-dioxo-1-piperazinyl)propanenitrile
3-(2,5-dioxopiperazin-1-yl)propanenitrile
3-[2,5-bis(oxidanylidene)piperazin-1-yl]propanenitrile |
| CAS Registry Number |
100524-14-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H9N3O2 |
| InChI |
InChI=1S/C7H9N3O2/c8-2-1-3-10-5-6(11)9-4-7(10)12/h1,3-5H2,(H,9,11) |
| InChIKey |
AOUDWHZFVFTRRH-UHFFFAOYSA-N |
| Molecular Weight |
167.168 g/mol |
| SMILES |
N1CC(N(CC1=O)CCC#N)=O |
| SPLASH |
splash10-016r-0900000000-91db2c6bdfd08b3b38ec |
| Source of Spectrum |
Y-23-231-4 |
| Wiley ID |
1163459 |
