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(S,Z)-2-(4-Bromobenzylidene)-8-methyl-3-(2-oxopropyl)-2H-furo[3,2-c]chromen-4(3H)-one
SpectraBase Compound ID Ku1LBDQTaKD
InChI InChI=1S/C22H17BrO4/c1-12-3-8-18-17(9-12)21-20(22(25)27-18)16(10-13(2)24)19(26-21)11-14-4-6-15(23)7-5-14/h3-9,11,16H,10H2,1-2H3/b19-11-/t16-/m1/s1
InChIKey QBYSGMUSMLYMSL-VXIUPONVSA-N
Mol Weight 425.28 g/mol
Molecular Formula C22H17BrO4
Exact Mass 424.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kJb31rSzpT
Name (S,Z)-2-(4-Bromobenzylidene)-8-methyl-3-(2-oxopropyl)-2H-furo[3,2-c]chromen-4(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrO4
InChI InChI=1S/C22H17BrO4/c1-12-3-8-18-17(9-12)21-20(22(25)27-18)16(10-13(2)24)19(26-21)11-14-4-6-15(23)7-5-14/h3-9,11,16H,10H2,1-2H3/b19-11-/t16-/m1/s1
InChIKey QBYSGMUSMLYMSL-VXIUPONVSA-N
Literature Reference DOI 10.1021/ol502551u
Molecular Weight 425.278 g/mol
SMILES c1(\C=C\2[C@](C=3C(Oc4ccc(cc4C3O2)C)=O)(CC(C)=O)[H])ccc(cc1)Br
SPLASH splash10-004r-4912000000-0d67d97d9c61c381447c
Source of Spectrum A1-16-5188/SM24-4m
Wiley ID 1751367