SpectraBase Compound ID | AOhUdJPMYKK |
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InChI | InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2 |
InChIKey | LOJCUYCKDGYLJH-UHFFFAOYSA-N |
Mol Weight | 204.32 g/mol |
Molecular Formula | C13H20N2 |
Exact Mass | 204.162649 g/mol |
SpectraBase Spectrum ID | KRu2AgxLCcx |
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Name | 1-(3-Phenylpropyl)piperazine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.162648652 u |
Formula | C13H20N2 |
InChI | InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2 |
InChIKey | LOJCUYCKDGYLJH-UHFFFAOYSA-N |
Molecular Weight | 204.317 g/mol |
SMILES | C1N(CCNC1)CCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979382 |