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Ethyl (+)-(2S)-2-acetamido-3-(1'-hydroxyanthracene-9',10'-dion-4'-yl)propionoate
SpectraBase Compound ID f32Aco4TiK
InChI InChI=1S/C21H19NO6/c1-3-28-21(27)15(22-11(2)23)10-12-8-9-16(24)18-17(12)19(25)13-6-4-5-7-14(13)20(18)26/h4-9,15,24H,3,10H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKey HNQJWYGTXMOYET-HNNXBMFYSA-N
Mol Weight 381.38 g/mol
Molecular Formula C21H19NO6
Exact Mass 381.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsJRowD9tkI
Name Ethyl (+)-(2S)-2-acetamido-3-(1'-hydroxyanthracene-9',10'-dion-4'-yl)propionoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO6
InChI InChI=1S/C21H19NO6/c1-3-28-21(27)15(22-11(2)23)10-12-8-9-16(24)18-17(12)19(25)13-6-4-5-7-14(13)20(18)26/h4-9,15,24H,3,10H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKey HNQJWYGTXMOYET-HNNXBMFYSA-N
Molecular Weight 381.384 g/mol
SMILES N([C@@](Cc1c2c(c(cc1)O)C(c1c(C2=O)cccc1)=O)(C(=O)OCC)[H])C(=O)C
SPLASH splash10-000b-0291000000-b4f2098ca586b580facd
Source of Spectrum F-53-4409-63
Synonyms Ethyl (2S)-2-(acetylamino)-3-(4-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)propanoate
Wiley ID 801215