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

*Links on SpectraBase are not permalinks.
2,5-Piperazinedione, 3-(3-bromopropyl)-1,4-bis(phenylmethyl)-, (.+-.)-
SpectraBase Compound ID KbN9r1WIpik
InChI InChI=1S/C21H23BrN2O2/c22-13-7-12-19-21(26)23(14-17-8-3-1-4-9-17)16-20(25)24(19)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKey IPWHQXBYHKAHHA-UHFFFAOYSA-N
Mol Weight 415.33 g/mol
Molecular Formula C21H23BrN2O2
Exact Mass 414.094291 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 AZN7EiAkD2k
Name 2,5-Piperazinedione, 3-(3-bromopropyl)-1,4-bis(phenylmethyl)-, (.+-.)-
CAS Registry Number 117856-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2O2
InChI InChI=1S/C21H23BrN2O2/c22-13-7-12-19-21(26)23(14-17-8-3-1-4-9-17)16-20(25)24(19)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKey IPWHQXBYHKAHHA-UHFFFAOYSA-N
Molecular Weight 415.331 g/mol
SMILES C1(N(C(C(N(C1)Cc1ccccc1)=O)CCCBr)Cc1ccccc1)=O
SPLASH splash10-0006-9000100000-f87c77a5e14f9d44d312
Source of Spectrum KC-1988-2588-7
Synonyms 1,4-Dibenzyl-3-(3'(bromopropyl)piperazine-2,5-dione 1,4-Dibenzyl-3-(3-bromopropyl)-2,5-piperazinedione
Wiley ID 1375300