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3-Chloro-5-hydroxy-2-[(3-hydroxypropyl)amino]naphthalene-1,4-dione

View entire compound with spectra: 1 FTIR

3-Chloro-5-hydroxy-2-[(3-hydroxypropyl)amino]naphthalene-1,4-dione
SpectraBase Compound ID 4u0MCQuPqw6
InChI InChI=1S/C13H12ClNO4/c14-10-11(15-5-2-6-16)12(18)7-3-1-4-8(17)9(7)13(10)19/h1,3-4,15-17H,2,5-6H2
InChIKey DGOWSIGLCWAARO-UHFFFAOYSA-N
Mol Weight 281.69 g/mol
Molecular Formula C13H12ClNO4
Exact Mass 281.045486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7LFBCtmvqZz
Name 3-Chloro-5-hydroxy-2-[(3-hydroxypropyl)amino]naphthalene-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.045485566 u
Formula C13H12ClNO4
InChI InChI=1S/C13H12ClNO4/c14-10-11(15-5-2-6-16)12(18)7-3-1-4-8(17)9(7)13(10)19/h1,3-4,15-17H,2,5-6H2
InChIKey DGOWSIGLCWAARO-UHFFFAOYSA-N
SMILES C1=CC=C(C2=C1C(C(NCCCO)=C(C2=O)Cl)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833596