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2-Nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline
SpectraBase Compound ID EPOAv5Q0f1F
InChI InChI=1S/C13H18N4O2/c1-2-5-15-12-10-11(3-4-13(12)17(18)19)16-8-6-14-7-9-16/h2-4,10,14-15H,1,5-9H2
InChIKey AXBRCMLWHVVQQZ-UHFFFAOYSA-N
Mol Weight 262.31 g/mol
Molecular Formula C13H18N4O2
Exact Mass 262.142976 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KL76Hxt4Twh
Name 2-Nitro-5-(piperazin-1-yl)-N-(prop-2-en-1-yl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.142975834 u
Formula C13H18N4O2
InChI InChI=1S/C13H18N4O2/c1-2-5-15-12-10-11(3-4-13(12)17(18)19)16-8-6-14-7-9-16/h2-4,10,14-15H,1,5-9H2
InChIKey AXBRCMLWHVVQQZ-UHFFFAOYSA-N
SMILES C=1(NCC=C)C=C(C=CC1N(=O)=O)N1CCNCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953466