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N-(1,4-naphthoquinone)-amphetamine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(1,4-naphthoquinone)-amphetamine
SpectraBase Compound ID 1A5e3jaQrX4
InChI InChI=1S/C19H17NO2/c1-13(11-14-7-3-2-4-8-14)20-17-12-18(21)19(22)16-10-6-5-9-15(16)17/h2-10,12-13,20H,11H2,1H3
InChIKey WQLRKKFWBBVHOZ-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C19H17NO2
Exact Mass 291.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C3qVu4klO8t
Name N-(1,4-Naphthoquinone)-amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.125928789 u
Formula C19H17NO2
InChI InChI=1S/C19H17NO2/c1-13(11-14-7-3-2-4-8-14)20-17-12-18(21)19(22)16-10-6-5-9-15(16)17/h2-10,12-13,20H,11H2,1H3
InChIKey WQLRKKFWBBVHOZ-UHFFFAOYSA-N
SMILES C1(=CC(=O)C(C2=C1C=CC=C2)=O)NC(CC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858989