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(S,Z)-8-Chloro-2-(3-methoxybenzylidene)-3-(2-oxopropyl)-2H-furo[3,2-c]chromen-4(3H)-one
SpectraBase Compound ID HjmPUTEiDsZ
InChI InChI=1S/C22H17ClO5/c1-12(24)8-16-19(10-13-4-3-5-15(9-13)26-2)27-21-17-11-14(23)6-7-18(17)28-22(25)20(16)21/h3-7,9-11,16H,8H2,1-2H3/b19-10-/t16-/m1/s1
InChIKey GODZVIYVLSSKDE-DZGUVLCISA-N
Mol Weight 396.83 g/mol
Molecular Formula C22H17ClO5
Exact Mass 396.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Bcgs0pCtu
Name (S,Z)-8-Chloro-2-(3-methoxybenzylidene)-3-(2-oxopropyl)-2H-furo[3,2-c]chromen-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClO5
InChI InChI=1S/C22H17ClO5/c1-12(24)8-16-19(10-13-4-3-5-15(9-13)26-2)27-21-17-11-14(23)6-7-18(17)28-22(25)20(16)21/h3-7,9-11,16H,8H2,1-2H3/b19-10-/t16-/m1/s1
InChIKey GODZVIYVLSSKDE-DZGUVLCISA-N
Literature Reference DOI 10.1021/ol502551u
Molecular Weight 396.826 g/mol
SMILES c1(\C=C\2[C@@](CC(C)=O)(C3=C(O2)c2cc(ccc2OC3=O)Cl)[H])cc(ccc1)OC
SPLASH splash10-004i-5903000000-dfa4a5cf90362ba32fbb
Source of Spectrum A1-16-5188/SM26-4p
Wiley ID 1751369