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(S)2-(2-Quinolyl)-3-[(acetoxy)oxy]propyl 4-bromobrnzoate
SpectraBase Compound ID 9GXWE6T8ONV
InChI InChI=1S/C21H18BrNO4/c1-14(24)26-12-17(13-27-21(25)16-6-9-18(22)10-7-16)20-11-8-15-4-2-3-5-19(15)23-20/h2-11,17H,12-13H2,1H3/t17-/m1/s1
InChIKey BWXRFSJCZUMEOJ-QGZVFWFLSA-N
Mol Weight 428.28 g/mol
Molecular Formula C21H18BrNO4
Exact Mass 427.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5O6NjHI0ID
Name (S)2-(2-Quinolyl)-3-[(acetoxy)oxy]propyl 4-bromobrnzoate
Alternate Name(s) (S)2-(2-Quinolyl)-3-[acetoxy]propyl 4-bromobrnzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrNO4
InChI InChI=1S/C21H18BrNO4/c1-14(24)26-12-17(13-27-21(25)16-6-9-18(22)10-7-16)20-11-8-15-4-2-3-5-19(15)23-20/h2-11,17H,12-13H2,1H3/t17-/m1/s1
InChIKey BWXRFSJCZUMEOJ-QGZVFWFLSA-N
Molecular Weight 428.282 g/mol
SMILES c1(nc2c(cc1)cccc2)[C@@](COC(c1ccc(cc1)Br)=O)(COC(=O)C)[H]
SPLASH splash10-001i-1900000000-befc33fb72880a7b60b6
Source of Spectrum QC-9-2490-11
Wiley ID 870668