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Methyl 4-acetyl-1-anthraquinonecarboxylate

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

Methyl 4-acetyl-1-anthraquinonecarboxylate
SpectraBase Compound ID BDATY8C2V2E
InChI InChI=1S/C18H12O5/c1-9(19)10-7-8-13(18(22)23-2)15-14(10)16(20)11-5-3-4-6-12(11)17(15)21/h3-8H,1-2H3
InChIKey TXFCWHXQAIISTQ-UHFFFAOYSA-N
Mol Weight 308.29 g/mol
Molecular Formula C18H12O5
Exact Mass 308.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HjRoLMzCHNd
Name Methyl 4-acetyl-1-anthraquinonecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.068473481 u
Formula C18H12O5
InChI InChI=1S/C18H12O5/c1-9(19)10-7-8-13(18(22)23-2)15-14(10)16(20)11-5-3-4-6-12(11)17(15)21/h3-8H,1-2H3
InChIKey TXFCWHXQAIISTQ-UHFFFAOYSA-N
Molecular Weight 308.289 g/mol
SMILES C=1(C=CC(=C2C(=O)C=3C=CC=CC3C(=O)C12)C(=O)C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855355