| SpectraBase Spectrum ID |
8BgyTOJDfmu |
| Name |
3-[(2R,5S)-2-methyl-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]propanenitrile |
| Alternate Name(s) |
3-[(2R,5S)-2-methyl-3,6-dioxo-5-(phenylmethyl)-1-piperazinyl]propanenitrile
3-[(2R,5S)-5-benzyl-2-methyl-3,6-dioxo-piperazin-1-yl]propanenitrile
3-[(3S,6R)-3-benzyl-2,5-diketo-6-methyl-piperazino]propionitrile |
| CAS Registry Number |
106659-87-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17N3O2 |
| InChI |
InChI=1S/C15H17N3O2/c1-11-14(19)17-13(10-12-6-3-2-4-7-12)15(20)18(11)9-5-8-16/h2-4,6-7,11,13H,5,9-10H2,1H3,(H,17,19)/t11-,13+/m1/s1 |
| InChIKey |
HETIIGSJVGDNCY-YPMHNXCESA-N |
| Molecular Weight |
271.320 g/mol |
| SMILES |
N1[C@](C(N([C@@](C1=O)(C)[H])CCC#N)=O)(Cc1ccccc1)[H] |
| SPLASH |
splash10-00di-0490000000-bb2e9d531f900c66ff51 |
| Source of Spectrum |
Y-23-231-5 |
| Wiley ID |
1275285 |
![3-[(2R,5S)-2-methyl-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]propanenitrile](/api/spectrum/8BgyTOJDfmu/structure.png?h=300&w=458 "3-[(2R,5S)-2-methyl-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]propanenitrile")
