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Benzenesulfonamide, N-(1,1-dimethylethyl)-2-methyl-5-[4-(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)-1-phthalazinyl]-
SpectraBase Compound ID 1zGnL7YhnK8
InChI InChI=1S/C30H33N5O3S/c1-19-12-13-21(15-26(19)39(37,38)33-30(2,3)4)28-23-8-5-6-9-24(23)29(32-31-28)34-16-20-14-22(18-34)25-10-7-11-27(36)35(25)17-20/h5-13,15,20,22,33H,14,16-18H2,1-4H3/t20-,22-/m0/s1
InChIKey HWEQGZRSPYPVMV-UNMCSNQZSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H33N5O3S
Exact Mass 543.230411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXnZDQHP5sH
Name Benzenesulfonamide, N-(1,1-dimethylethyl)-2-methyl-5-[4-(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)-1-phthalazinyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33N5O3S
InChI InChI=1S/C30H33N5O3S/c1-19-12-13-21(15-26(19)39(37,38)33-30(2,3)4)28-23-8-5-6-9-24(23)29(32-31-28)34-16-20-14-22(18-34)25-10-7-11-27(36)35(25)17-20/h5-13,15,20,22,33H,14,16-18H2,1-4H3/t20-,22-/m0/s1
InChIKey HWEQGZRSPYPVMV-UNMCSNQZSA-N
Molecular Weight 543.686 g/mol
SMILES N(S(c1cc(-c2nnc(N3C[C@]4(C5=CC=CC(N5C[C@](C3)(C4)[H])=O)[H])c3c2cccc3)ccc1C)(=O)=O)C(C)(C)C
SPLASH splash10-052r-2695000000-78aa215c09efb2eead12
Source of Spectrum IY-1-4611-8
Wiley ID 1654101