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

*Links on SpectraBase are not permalinks.
3-[4-(1-adamantyl)-1-piperazinyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SpectraBase Compound ID 6u7770l577x
InChI InChI=1S/C26H35N3O2/c1-17-3-4-22(18(2)9-17)29-24(30)13-23(25(29)31)27-5-7-28(8-6-27)26-14-19-10-20(15-26)12-21(11-19)16-26/h3-4,9,19-21,23H,5-8,10-16H2,1-2H3/t19-,20+,21-,23?,26-
InChIKey YRXRNQBKBMYHHM-RDJIVGJFSA-N
Mol Weight 421.6 g/mol
Molecular Formula C26H35N3O2
Exact Mass 421.272927 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 20qdnp5wyj3
Name 3-[4-(1-adamantyl)-1-piperazinyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O2
InChI InChI=1S/C26H35N3O2/c1-17-3-4-22(18(2)9-17)29-24(30)13-23(25(29)31)27-5-7-28(8-6-27)26-14-19-10-20(15-26)12-21(11-19)16-26/h3-4,9,19-21,23H,5-8,10-16H2,1-2H3/t19-,20+,21-,23?,26-
InChIKey YRXRNQBKBMYHHM-RDJIVGJFSA-N
Molecular Weight 421.585 g/mol
SMILES Cc1ccc(N2C(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)CC2=O)=O)c(c1)C
SPLASH splash10-000i-3920000000-61916b12af2d8986e0df
Synonyms 3-[4-(1-adamantyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione 3-[4-(1-adamantyl)piperazino]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-quinone
Wiley ID 1463564