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3-[4-(2H-1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-amine

View entire compound with spectra: 1 NMR, and 1 FTIR

3-[4-(2H-1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-amine
SpectraBase Compound ID GyOQ9xd4epc
InChI InChI=1S/C15H23N3O2/c16-4-1-5-17-6-8-18(9-7-17)11-13-2-3-14-15(10-13)20-12-19-14/h2-3,10H,1,4-9,11-12,16H2
InChIKey AVPJLKZGMWXENP-UHFFFAOYSA-N
Mol Weight 277.37 g/mol
Molecular Formula C15H23N3O2
Exact Mass 277.179027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5XbpvMqj0Ul
Name 3-[4-(2H-1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.179026991 u
Formula C15H23N3O2
InChI InChI=1S/C15H23N3O2/c16-4-1-5-17-6-8-18(9-7-17)11-13-2-3-14-15(10-13)20-12-19-14/h2-3,10H,1,4-9,11-12,16H2
InChIKey AVPJLKZGMWXENP-UHFFFAOYSA-N
SMILES C1=CC(CN2CCN(CCCN)CC2)=CC2=C1OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806753