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3-[2-(2,5-Dimethylpyrrolo-1-yl)thiazol-4-yl]benzo[f]coumarins
SpectraBase Compound ID 8a4p16k1SuF
InChI InChI=1S/C22H15BrN2O2S/c1-12-7-8-13(2)25(12)22-24-19(20(23)28-22)17-11-16-15-6-4-3-5-14(15)9-10-18(16)27-21(17)26/h3-11H,1-2H3
InChIKey DGUBEPKRRVKVBJ-UHFFFAOYSA-N
Mol Weight 451.34 g/mol
Molecular Formula C22H15BrN2O2S
Exact Mass 450.003762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWWYL82TBma
Name 3-[2-(2,5-Dimethylpyrrolo-1-yl)thiazol-4-yl]benzo[f]coumarins
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15BrN2O2S
InChI InChI=1S/C22H15BrN2O2S/c1-12-7-8-13(2)25(12)22-24-19(20(23)28-22)17-11-16-15-6-4-3-5-14(15)9-10-18(16)27-21(17)26/h3-11H,1-2H3
InChIKey DGUBEPKRRVKVBJ-UHFFFAOYSA-N
Molecular Weight 451.338 g/mol
SMILES c1(nc(C=2C(Oc3c(C2)c2c(cc3)cccc2)=O)c(s1)Br)-[n]1c(ccc1C)C
SPLASH splash10-053u-0259000000-98ae383bbec5d08e3135
Source of Spectrum Y1-36-1088-2
Wiley ID 1527208