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2-Pyrrolidinecarboxamide, N-[4-(octyloxy)phenyl]-1-(phenylsulfonyl)-
SpectraBase Compound ID 2TYIEZeAfNh
InChI InChI=1S/C25H34N2O4S/c1-2-3-4-5-6-10-20-31-22-17-15-21(16-18-22)26-25(28)24-14-11-19-27(24)32(29,30)23-12-8-7-9-13-23/h7-9,12-13,15-18,24H,2-6,10-11,14,19-20H2,1H3,(H,26,28)
InChIKey HAVKFUJAFZKXGH-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C25H34N2O4S
Exact Mass 458.223929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHw3rTjHV7T
Name 2-Pyrrolidinecarboxamide, N-[4-(octyloxy)phenyl]-1-(phenylsulfonyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O4S
InChI InChI=1S/C25H34N2O4S/c1-2-3-4-5-6-10-20-31-22-17-15-21(16-18-22)26-25(28)24-14-11-19-27(24)32(29,30)23-12-8-7-9-13-23/h7-9,12-13,15-18,24H,2-6,10-11,14,19-20H2,1H3,(H,26,28)
InChIKey HAVKFUJAFZKXGH-UHFFFAOYSA-N
Molecular Weight 458.617 g/mol
SMILES N(C(C1N(S(=O)(=O)c2ccccc2)CCC1)=O)c1ccc(cc1)OCCCCCCCC
SPLASH splash10-03di-8390000000-5e33ecc24b26e0620ca5
Source of Spectrum IY-1-4641-5
Synonyms 1-(benzenesulfonyl)-N-(4-octoxyphenyl)-2-pyrrolidinecarboxamide 1-(benzenesulfonyl)-N-(4-octoxyphenyl)pyrrolidine-2-carboxamide N-(4-octoxyphenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide
Wiley ID 1654398