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N-(3,3-Dimethylacryloyl)-3-(bromomethyl)-2-[(phenylsulfonyl)methyl]pyrrolidine
SpectraBase Compound ID 3GXWGTrSd90
InChI InChI=1S/C17H22BrNO3S/c1-13(2)10-17(20)19-9-8-14(11-18)16(19)12-23(21,22)15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-12H2,1-2H3
InChIKey XPNAZNQNJDAKDG-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 4yaWZLv7s4I
Name N-(3,3-Dimethylacryloyl)-3-(bromomethyl)-2-[(phenylsulfonyl)methyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22BrNO3S
InChI InChI=1S/C17H22BrNO3S/c1-13(2)10-17(20)19-9-8-14(11-18)16(19)12-23(21,22)15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-12H2,1-2H3
InChIKey XPNAZNQNJDAKDG-UHFFFAOYSA-N
Molecular Weight 400.331 g/mol
SMILES C1(N(CCC1CBr)C(C=C(C)C)=O)CS(=O)(=O)c1ccccc1
SPLASH splash10-001j-9247400000-9f18950a124f320cdb85
Source of Spectrum J-64-2351-14
Synonyms 3-(bromomethyl)-1-(3-methyl-2-butenoyl)-2-[(phenylsulfonyl)methyl]pyrrolidine [3-(bromomethyl)-1-(3-methyl-2-butenoyl)-2-pyrrolidinyl]methyl phenyl sulfone
Wiley ID 1529787