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2-Amino-3',4'-dihydroxyacetophenone, bitartrate

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

2-Amino-3',4'-dihydroxyacetophenone, bitartrate
SpectraBase Compound ID 6c8y7rkaWwx
InChI InChI=1S/C8H9NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,10-11H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey NWWROCPUBMKATC-UHFFFAOYSA-N
Mol Weight 317.25 g/mol
Molecular Formula C12H15NO9
Exact Mass 317.074681 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BvqTHe4Fz2V
Name 2-Amino-3',4'-dihydroxyacetophenone, bitartrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.074681058 u
Formula C12H15NO9
InChI InChI=1S/C8H9NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,10-11H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey NWWROCPUBMKATC-UHFFFAOYSA-N
Molecular Weight 317.250 g/mol
SMILES OC(C(C(C(O)=O)O)O)=O.OC1=C(C=C(C(CN)=O)C=C1)O
Spectrum/Structure Validation Score (Raman) 0.935817