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5-[(E)-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-but-1-enyl]-1-propan-2-yl-pyrrolidin-2-one
SpectraBase Compound ID 7f1O7nWNl5a
InChI InChI=1S/C20H29NO3S/c1-14(2)21-17(11-12-19(21)22)18(13-20(4,5)6)25(23,24)16-9-7-15(3)8-10-16/h7-10,13-14,17H,11-12H2,1-6H3/b18-13+
InChIKey XMUUOJOLUPCDAC-QGOAFFKASA-N
Mol Weight 363.52 g/mol
Molecular Formula C20H29NO3S
Exact Mass 363.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36klkIsiBs
Name 5-[(E)-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-but-1-enyl]-1-propan-2-yl-pyrrolidin-2-one
Alternate Name(s) 5-[(E)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbut-1-enyl]-1-propan-2-yl-2-pyrrolidinone 5-[(E)-3,3-dimethyl-1-(p-tolylsulfonyl)but-1-enyl]-1-isopropyl-pyrrolidin-2-one 5-[(E)-3,3-dimethyl-1-tosyl-but-1-enyl]-1-isopropyl-2-pyrrolidone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3S
InChI InChI=1S/C20H29NO3S/c1-14(2)21-17(11-12-19(21)22)18(13-20(4,5)6)25(23,24)16-9-7-15(3)8-10-16/h7-10,13-14,17H,11-12H2,1-6H3/b18-13+
InChIKey XMUUOJOLUPCDAC-QGOAFFKASA-N
Molecular Weight 363.516 g/mol
SMILES c1(S(\C(C2N(C(=O)CC2)C(C)C)=C/C(C)(C)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0a5c-9000000000-5eb6003761290af064e4
Source of Spectrum F-54-11264-17
Wiley ID 808969