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

*Links on SpectraBase are not permalinks.
1H,4H-3a,6a-[2]Butenopyrrolo[3,4-c]pyrrole-2,5(3H,6H)-dipentanenitril e
SpectraBase Compound ID B2Hcr7FZ5er
InChI InChI=1S/C20H22N4O4/c21-11-5-1-7-13-23-15(25)19-9-3-4-10-20(19,16(23)26)18(28)24(17(19)27)14-8-2-6-12-22/h3,9H,1-2,4-8,10,13-14H2
InChIKey ITUSZJISLPFJEK-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C20H22N4O4
Exact Mass 382.164105 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 I5oK0TXMv3X
Name 1H,4H-3a,6a-[2]Butenopyrrolo[3,4-c]pyrrole-2,5(3H,6H)-dipentanenitril e
Alternate Name(s) 5-[11-(4-cyanobutyl)-7,9,10,12-tetraoxo-8,11-diazatricyclo[4.3.3.0(1,6)]dodec-2-en-8-yl]pentanenitrile N,N'-di(4-cyanobut-1-yl)[4.3.3]propellene-bis-imide
CAS Registry Number 94767-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O4
InChI InChI=1S/C20H22N4O4/c21-11-5-1-7-13-23-15(25)19-9-3-4-10-20(19,16(23)26)18(28)24(17(19)27)14-8-2-6-12-22/h3,9H,1-2,4-8,10,13-14H2
InChIKey ITUSZJISLPFJEK-UHFFFAOYSA-N
Molecular Weight 382.420 g/mol
SMILES C123C(C(=O)N(C3=O)CCCCC#N)(C(=O)N(C1=O)CCCCC#N)CCC=C2
SPLASH splash10-001i-0497000000-73c05fc38d44fa09d4da
Source of Spectrum F-40-3330-0
Wiley ID 1360495