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(Z)-8-(4-Carbethoxyphenyl)-5-tosyl-5-azaoct-2-en-7-yn-1-ol
SpectraBase Compound ID 4wO73izPxYz
InChI InChI=1S/C23H25NO5S/c1-3-29-23(26)21-12-10-20(11-13-21)7-6-17-24(16-4-5-18-25)30(27,28)22-14-8-19(2)9-15-22/h4-5,8-15,25H,3,16-18H2,1-2H3/b5-4-
InChIKey DMVHLCNOJWVOPI-PLNGDYQASA-N
Mol Weight 427.52 g/mol
Molecular Formula C23H25NO5S
Exact Mass 427.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu3p3OFimro
Name (Z)-8-(4-Carbethoxyphenyl)-5-tosyl-5-azaoct-2-en-7-yn-1-ol
Alternate Name(s) (Z)-ethyl 4-(3-(N-(4-hydroxybut-2-en-1-yl)-4-methylphenylsulfonamido)prop-1-yn-1-yl)benzoate 4-[3-[[(Z)-4-hydroxybut-2-enyl]-(4-methylphenyl)sulfonylamino]prop-1-ynyl]benzoic acid ethyl ester Ethyl 4-[3-[[(Z)-4-hydroxybut-2-enyl]-(4-methylphenyl)sulfonylamino]prop-1-ynyl]benzoate Ethyl 4-[3-[[(Z)-4-hydroxybut-2-enyl]-(p-tolylsulfonyl)amino]prop-1-ynyl]benzoate Ethyl 4-[3-[(4-methylphenyl)sulfonyl-[(Z)-4-oxidanylbut-2-enyl]amino]prop-1-ynyl]benzoate
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Formula C23H25NO5S
InChI InChI=1S/C23H25NO5S/c1-3-29-23(26)21-12-10-20(11-13-21)7-6-17-24(16-4-5-18-25)30(27,28)22-14-8-19(2)9-15-22/h4-5,8-15,25H,3,16-18H2,1-2H3/b5-4-
InChIKey DMVHLCNOJWVOPI-PLNGDYQASA-N
Literature Reference DOI 10.1021/jo101148e
Molecular Weight 427.515 g/mol
SMILES OC\C=C/CN(CC#Cc1ccc(cc1)C(=O)OCC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0603-3910000000-52b1135642f0eb678d3e
Source of Spectrum J-75-6031/SM4-1h
Wiley ID 1751749