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benzeneethanamine, N-[5-[4-[(3,4-dimethoxyphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-
SpectraBase Compound ID ANMZhwpQ1rj
InChI InChI=1S/C26H30N4O6S/c1-35-25-11-9-22(19-26(25)36-2)37(33,34)29-16-14-28(15-17-29)21-8-10-24(30(31)32)23(18-21)27-13-12-20-6-4-3-5-7-20/h3-11,18-19,27H,12-17H2,1-2H3
InChIKey SWTFKMXKXLBECM-UHFFFAOYSA-N
Mol Weight 526.61 g/mol
Molecular Formula C26H30N4O6S
Exact Mass 526.188606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BsShVyGjVg
Name [5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-phenethyl-amine
Alternate Name(s) 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(2-phenylethyl)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4O6S
InChI InChI=1S/C26H30N4O6S/c1-35-25-11-9-22(19-26(25)36-2)37(33,34)29-16-14-28(15-17-29)21-8-10-24(30(31)32)23(18-21)27-13-12-20-6-4-3-5-7-20/h3-11,18-19,27H,12-17H2,1-2H3
InChIKey SWTFKMXKXLBECM-UHFFFAOYSA-N
Molecular Weight 526.608 g/mol
SMILES N(c1cc(N2CCN(S(c3cc(OC)c(cc3)OC)(=O)=O)CC2)ccc1N(=O)=O)CCc1ccccc1
SPLASH splash10-0a4i-9300000000-108cc50e98420219c408
Wiley ID 1452798