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Butyl 2-(7-fluoro-4-(4-fluorophenyl)-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
SpectraBase Compound ID 4NnCNw6PB9U
InChI InChI=1S/C27H26F2N2O4S/c1-3-4-15-35-26(32)17-25-24-16-21(29)11-14-23(24)27(19-7-9-20(28)10-8-19)30-31(25)36(33,34)22-12-5-18(2)6-13-22/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKey CBJGQTRXFQNAHA-UHFFFAOYSA-N
Mol Weight 512.57 g/mol
Molecular Formula C27H26F2N2O4S
Exact Mass 512.158135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9iDmsOGHjo
Name Butyl 2-(7-fluoro-4-(4-fluorophenyl)-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26F2N2O4S
InChI InChI=1S/C27H26F2N2O4S/c1-3-4-15-35-26(32)17-25-24-16-21(29)11-14-23(24)27(19-7-9-20(28)10-8-19)30-31(25)36(33,34)22-12-5-18(2)6-13-22/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKey CBJGQTRXFQNAHA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302522n
Molecular Weight 512.572 g/mol
SMILES c1c(ccc(c1)C=1c2c(cc(cc2)F)C(CC(OCCCC)=O)N(S(c2ccc(cc2)C)(=O)=O)N1)F
SPLASH splash10-0002-2009000000-3371f20a98f5adbef48b
Source of Spectrum A1-14-5338/SMS10-3da
Wiley ID 1750658