| SpectraBase Compound ID | FLJ5mBEL4QA |
|---|---|
| InChI | InChI=1S/C11H15N3O2/c15-14(16)11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2 |
| InChIKey | VDHHZWTYFFZYBM-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C11H15N3O2 |
| Exact Mass | 221.116427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2tT5aa1VXcy |
|---|---|
| Name | 1-(4-Nitrobenzyl)piperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.116426733 u |
| Formula | C11H15N3O2 |
| InChI | InChI=1S/C11H15N3O2/c15-14(16)11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2 |
| InChIKey | VDHHZWTYFFZYBM-UHFFFAOYSA-N |
| Molecular Weight | 221.260 g/mol |
| SMILES | C1N(CCNC1)CC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96829 |