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4-{5-[3-(3,4-Dihydroxyphenyl)propenyl]benzo[d]isoxazol-3-yl]benzoic acid
SpectraBase Compound ID B95Afn7UTjx
InChI InChI=1S/C23H17NO5/c25-19-10-4-15(13-20(19)26)3-1-2-14-5-11-21-18(12-14)22(24-29-21)16-6-8-17(9-7-16)23(27)28/h1-2,4-13,25-26H,3H2,(H,27,28)/b2-1+
InChIKey KNBQMIFAPRPSAA-OWOJBTEDSA-N
Mol Weight 387.39 g/mol
Molecular Formula C23H17NO5
Exact Mass 387.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UgkNzKOzxS
Name 4-{5-[3-(3,4-Dihydroxyphenyl)propenyl]benzo[d]isoxazol-3-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO5
InChI InChI=1S/C23H17NO5/c25-19-10-4-15(13-20(19)26)3-1-2-14-5-11-21-18(12-14)22(24-29-21)16-6-8-17(9-7-16)23(27)28/h1-2,4-13,25-26H,3H2,(H,27,28)/b2-1+
InChIKey KNBQMIFAPRPSAA-OWOJBTEDSA-N
Molecular Weight 387.391 g/mol
SMILES Oc1cc(ccc1O)C\C=C\c1cc2c(noc2cc1)-c1ccc(C(=O)O)cc1
SPLASH splash10-00xr-2459000000-b82514ad1d8d9f7ce395
Source of Spectrum QC-24-1461-27
Synonyms 4-{5-[(1E)-3-(3,4-dihydroxyphenyl)-1-propenyl]-1,2-benzisoxazol-3-yl}benzoic acid
Wiley ID 1584194