| SpectraBase Spectrum ID |
8JOKfzKIhKi |
| Name |
3-Benzyl-6-iso-propyl-2,5-piperazinedione |
| CAS Registry Number |
14474-71-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
246.136827826 u |
| Formula |
C14H18N2O2 |
| InChI |
InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17) |
| InChIKey |
OQQPOHUVAQPSHJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.310 g/mol |
| Nominal Mass |
246 u |
| Quality |
886 |
| Retention Index |
2027 |
| SMILES |
C1(NC(C(NC1=O)CC=1C=CC=CC1)=O)C(C)C |
| SPLASH |
splash10-0007-9410000000-fa9d1f0996254d720710 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-benzyl-6-(propan-2-yl)piperazine-2,5-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005266 |
