For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(2,5-Diketopiperazino)propionitrile
SpectraBase Compound ID LmVoOyslnxk
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
Mol Weight 167.17 g/mol
Molecular Formula C7H9N3O2
Exact Mass 167.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 75RJTUVO8QE
Name 3-(2,5-Diketopiperazino)propionitrile
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
Synonyms 3-(2,5-dioxo-1-piperazinyl)propanenitrile 3-(2,5-dioxopiperazin-1-yl)propanenitrile 3-[2,5-bis(oxidanylidene)piperazin-1-yl]propanenitrile
Wiley ID 1163459