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1-Amino-4-chloro-2-(hydroxymethyl)anthraquinone

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

1-Amino-4-chloro-2-(hydroxymethyl)anthraquinone
SpectraBase Compound ID 2jR0vEQu3Lt
InChI InChI=1S/C15H10ClNO3/c16-10-5-7(6-18)13(17)12-11(10)14(19)8-3-1-2-4-9(8)15(12)20/h1-5,18H,6,17H2
InChIKey KMSUFAYLLUHUPI-UHFFFAOYSA-N
Mol Weight 287.7 g/mol
Molecular Formula C15H10ClNO3
Exact Mass 287.034921 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1OAwoAzxxS8
Name 1-Amino-4-chloro-2-(hydroxymethyl)anthraquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.034920883 u
Formula C15H10ClNO3
InChI InChI=1S/C15H10ClNO3/c16-10-5-7(6-18)13(17)12-11(10)14(19)8-3-1-2-4-9(8)15(12)20/h1-5,18H,6,17H2
InChIKey KMSUFAYLLUHUPI-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C(=CC1Cl)CO)N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889803