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Butyl 2-(7-methyl-4-p-tolyl-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
SpectraBase Compound ID 5cyhCsgGv4d
InChI InChI=1S/C29H32N2O4S/c1-5-6-17-35-28(32)19-27-26-18-22(4)11-16-25(26)29(23-12-7-20(2)8-13-23)30-31(27)36(33,34)24-14-9-21(3)10-15-24/h7-16,18,27H,5-6,17,19H2,1-4H3
InChIKey USBIYKUXTCSAAE-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C29H32N2O4S
Exact Mass 504.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKffavlMGOR
Name Butyl 2-(7-methyl-4-p-tolyl-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
Alternate Name(s) Butyl 2-(7-methyl-4-(p-tolyl)-2-tosyl-1,2-dihydrophthalazin-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2O4S
InChI InChI=1S/C29H32N2O4S/c1-5-6-17-35-28(32)19-27-26-18-22(4)11-16-25(26)29(23-12-7-20(2)8-13-23)30-31(27)36(33,34)24-14-9-21(3)10-15-24/h7-16,18,27H,5-6,17,19H2,1-4H3
InChIKey USBIYKUXTCSAAE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302522n
Molecular Weight 504.645 g/mol
SMILES c1c(ccc(c1)C=1c2c(cc(cc2)C)C(CC(OCCCC)=O)N(S(c2ccc(cc2)C)(=O)=O)N1)C
SPLASH splash10-000i-1019000000-04ce9bb6a396114c8634
Source of Spectrum A1-14-5338/SMS9-3ba
Wiley ID 1750656