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N-Allyl-3-(1-bromo-1-methylethyl)-4-[(phenylsulfonyl)methyl]-2-pyrrolidone
SpectraBase Compound ID CGpiNNqIcGr
InChI InChI=1S/C17H22BrNO3S/c1-4-10-19-11-13(15(16(19)20)17(2,3)18)12-23(21,22)14-8-6-5-7-9-14/h4-9,13,15H,1,10-12H2,2-3H3
InChIKey XWCJFZNJDRPDPG-UHFFFAOYSA-N
Mol Weight 400.33 g/mol
Molecular Formula C17H22BrNO3S
Exact Mass 399.050378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6l6v1fPDIh
Name N-Allyl-3-(1-bromo-1-methylethyl)-4-[(phenylsulfonyl)methyl]-2-pyrrolidone
Alternate Name(s) 1-Allyl-3-(1-bromo-1-methylethyl)-4-[(phenylsulfonyl)methyl]-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22BrNO3S
InChI InChI=1S/C17H22BrNO3S/c1-4-10-19-11-13(15(16(19)20)17(2,3)18)12-23(21,22)14-8-6-5-7-9-14/h4-9,13,15H,1,10-12H2,2-3H3
InChIKey XWCJFZNJDRPDPG-UHFFFAOYSA-N
Molecular Weight 400.331 g/mol
SMILES C1(N(CC(C1C(C)(C)Br)CS(=O)(=O)c1ccccc1)CC=C)=O
SPLASH splash10-03xr-1904000000-c7366861bd19031656e2
Source of Spectrum J-64-2351-13
Wiley ID 1529790