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3-(4'-Benzoylamino-4'-hydroxycarboxamido-3'-buten-1'-ynyl) coumarin
SpectraBase Compound ID 4h3joOsRIMG
InChI InChI=1S/C21H14N2O5/c24-19(14-7-2-1-3-8-14)22-17(20(25)23-27)11-6-10-16-13-15-9-4-5-12-18(15)28-21(16)26/h1-5,7-9,11-13,27H,(H,22,24)(H,23,25)/b17-11+
InChIKey BFHZCPUQLXJFOJ-GZTJUZNOSA-N
Mol Weight 374.35 g/mol
Molecular Formula C21H14N2O5
Exact Mass 374.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxksuSzzOIM
Name 3-(4'-Benzoylamino-4'-hydroxycarboxamido-3'-buten-1'-ynyl) coumarin
Alternate Name(s) (E)-N-(1-(hydroxyamino)-1-oxo-5-(2-oxo-2H-chromen-3-yl)pent-2-en-4-yn-2-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N2O5
InChI InChI=1S/C21H14N2O5/c24-19(14-7-2-1-3-8-14)22-17(20(25)23-27)11-6-10-16-13-15-9-4-5-12-18(15)28-21(16)26/h1-5,7-9,11-13,27H,(H,22,24)(H,23,25)/b17-11+
InChIKey BFHZCPUQLXJFOJ-GZTJUZNOSA-N
Literature Reference DOI 10.1002/cjoc.19980160608
Molecular Weight 374.352 g/mol
SMILES N(\C(C(=O)NO)=C\C#CC1=Cc2ccccc2OC1=O)C(c1ccccc1)=O
SPLASH splash10-08g0-3972000000-c41eb48a9277d310a6a5
Source of Spectrum CJC-16-535-6
Wiley ID 1773380