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(3,4-Dihydroxyphenyl)heptylamine

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

(3,4-Dihydroxyphenyl)heptylamine
SpectraBase Compound ID 7NhmzE8rx9R
InChI InChI=1S/C13H21NO2/c14-9-5-3-1-2-4-6-11-7-8-12(15)13(16)10-11/h7-8,10,15-16H,1-6,9,14H2
InChIKey CBJLYPFYLREVCA-UHFFFAOYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CH9NLE7snDt
Name (3,4-Dihydroxyphenyl)heptylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.157228918 u
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c14-9-5-3-1-2-4-6-11-7-8-12(15)13(16)10-11/h7-8,10,15-16H,1-6,9,14H2
InChIKey CBJLYPFYLREVCA-UHFFFAOYSA-N
Molecular Weight 223.316 g/mol
SMILES C1(O)=CC=C(C=C1O)CCCCCCCN
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967615