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3-{[1'-(p-Methylphenyl)sulfonyl]-3'-phenylpropyl}-1H-indazole
SpectraBase Compound ID 7pZ8hwPOEbH
InChI InChI=1S/C23H22N2O2S/c1-17-11-14-19(15-12-17)28(26,27)22(16-13-18-7-3-2-4-8-18)23-20-9-5-6-10-21(20)24-25-23/h2-12,14-15,22H,13,16H2,1H3,(H,24,25)
InChIKey JNHKVWHSYPPVRN-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H22N2O2S
Exact Mass 390.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsdLqzLe8Lc
Name 3-{[1'-(p-Methylphenyl)sulfonyl]-3'-phenylpropyl}-1H-indazole
Alternate Name(s) 3-[1-(4-methylphenyl)sulfonyl-3-phenylpropyl]-2H-indazole 3-[3-phenyl-1-(p-tolylsulfonyl)propyl]-2H-indazole 3-[1-(4-methylphenyl)sulfonyl-3-phenyl-propyl]-2H-indazole
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Formula C23H22N2O2S
InChI InChI=1S/C23H22N2O2S/c1-17-11-14-19(15-12-17)28(26,27)22(16-13-18-7-3-2-4-8-18)23-20-9-5-6-10-21(20)24-25-23/h2-12,14-15,22H,13,16H2,1H3,(H,24,25)
InChIKey JNHKVWHSYPPVRN-UHFFFAOYSA-N
Molecular Weight 390.501 g/mol
SMILES [nH]1c2c(c(n1)C(S(c1ccc(cc1)C)(=O)=O)CCc1ccccc1)cccc2
SPLASH splash10-0g59-2960000000-02d71d55ab597ade3643
Source of Spectrum U1-2009-3186-6c
Wiley ID 1696983