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[1,4-Dihydro-1,4-dioxo-5-hydroxy-2-naphthylthio]acetic acid, acetate

View entire compound with spectra: 1 Raman, and 2 UV-Vis

[1,4-Dihydro-1,4-dioxo-5-hydroxy-2-naphthylthio]acetic acid, acetate
SpectraBase Compound ID G1AQLzOpUJE
InChI InChI=1S/C14H10O6S/c1-7(15)20-10-4-2-3-8-9(16)5-11(14(19)13(8)10)21-6-12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKey QKXMVPWTEWJBAI-UHFFFAOYSA-N
Mol Weight 306.29 g/mol
Molecular Formula C14H10O6S
Exact Mass 306.019809 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EuAnNbsphCe
Name [1,4-Dihydro-1,4-dioxo-5-hydroxy-2-naphthylthio]acetic acid, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.019809210 u
Formula C14H10O6S
InChI InChI=1S/C14H10O6S/c1-7(15)20-10-4-2-3-8-9(16)5-11(14(19)13(8)10)21-6-12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKey QKXMVPWTEWJBAI-UHFFFAOYSA-N
SMILES OC(CSC=1C(C=2C(=CC=CC2C(C1)=O)OC(=O)C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.919748