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2,5-Heptadienamide, 4-hydroxy-N-(1-methylethyl)-3-[(4-methylphenyl)sulfonyl]-, (E,E)-
SpectraBase Compound ID IKttS37rj1n
InChI InChI=1S/C17H23NO4S/c1-5-6-15(19)16(11-17(20)18-12(2)3)23(21,22)14-9-7-13(4)8-10-14/h5-12,15,19H,1-4H3,(H,18,20)/b6-5+,16-11+
InChIKey YDBRWWSSFMSGKC-QBUDEFGCSA-N
Mol Weight 337.43 g/mol
Molecular Formula C17H23NO4S
Exact Mass 337.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVQ0yeQETfz
Name 2,5-Heptadienamide, 4-hydroxy-N-(1-methylethyl)-3-[(4-methylphenyl)sulfonyl]-, (E,E)-
Alternate Name(s) (2E,5E)-4-hydroxy-N-isopropyl-3-[(4-methylphenyl)sulfonyl]-2,5-heptadienamide (E,E)-4-Hydroxy-N-isopropyl-3-tosylhepta-2,5-dienamide
CAS Registry Number 124455-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO4S
InChI InChI=1S/C17H23NO4S/c1-5-6-15(19)16(11-17(20)18-12(2)3)23(21,22)14-9-7-13(4)8-10-14/h5-12,15,19H,1-4H3,(H,18,20)/b6-5+,16-11+
InChIKey YDBRWWSSFMSGKC-QBUDEFGCSA-N
Molecular Weight 337.434 g/mol
SMILES N(C(\C=C/(C(\C=C\C)O)S(c1ccc(cc1)C)(=O)=O)=O)C(C)C
SPLASH splash10-001m-9600000000-7137f35b7ee82ca493d1
Source of Spectrum KC-1989-1389-7
Wiley ID 1333021