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Butyl 2-(4-phenyl-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
SpectraBase Compound ID ERLYbrqQ9lK
InChI InChI=1S/C27H28N2O4S/c1-3-4-18-33-26(30)19-25-23-12-8-9-13-24(23)27(21-10-6-5-7-11-21)28-29(25)34(31,32)22-16-14-20(2)15-17-22/h5-17,25H,3-4,18-19H2,1-2H3
InChIKey OACRDZXKJLPGRK-UHFFFAOYSA-N
Mol Weight 476.59 g/mol
Molecular Formula C27H28N2O4S
Exact Mass 476.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 351v9pybVDD
Name Butyl 2-(4-phenyl-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O4S
InChI InChI=1S/C27H28N2O4S/c1-3-4-18-33-26(30)19-25-23-12-8-9-13-24(23)27(21-10-6-5-7-11-21)28-29(25)34(31,32)22-16-14-20(2)15-17-22/h5-17,25H,3-4,18-19H2,1-2H3
InChIKey OACRDZXKJLPGRK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302522n
Molecular Weight 476.591 g/mol
SMILES c1cccc(c1)C1=NN(S(c2ccc(cc2)C)(=O)=O)C(CC(OCCCC)=O)c2ccccc12
SPLASH splash10-03di-1009000000-6dbc43d45748ded7155c
Source of Spectrum A1-14-5338/SMS8-3aa
Wiley ID 1750650