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[(2-bromo-2-methyl-3-oxo-1-phenyl-cyclopentanecarbonyl)-methyl-amino]-acetic acid

View entire compound with spectra: 1 MS (GC)

[(2-bromo-2-methyl-3-oxo-1-phenyl-cyclopentanecarbonyl)-methyl-amino]-acetic acid
SpectraBase Compound ID 3WYG0k6g5Av
InChI InChI=1S/C16H18BrNO4/c1-15(17)12(19)8-9-16(15,11-6-4-3-5-7-11)14(22)18(2)10-13(20)21/h3-7H,8-10H2,1-2H3,(H,20,21)
InChIKey MCCFKHUNSIXOOE-UHFFFAOYSA-N
Mol Weight 368.23 g/mol
Molecular Formula C16H18BrNO4
Exact Mass 367.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFC8eoZlVeX
Name [(2-bromo-2-methyl-3-oxo-1-phenyl-cyclopentanecarbonyl)-methyl-amino]-acetic acid
Alternate Name(s) [[(2-bromo-2-methyl-3-oxo-1-phenylcyclopentyl)carbonyl](methyl)amino]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrNO4
InChI InChI=1S/C16H18BrNO4/c1-15(17)12(19)8-9-16(15,11-6-4-3-5-7-11)14(22)18(2)10-13(20)21/h3-7H,8-10H2,1-2H3,(H,20,21)
InChIKey MCCFKHUNSIXOOE-UHFFFAOYSA-N
Molecular Weight 368.227 g/mol
SMILES OC(CN(C(C1(c2ccccc2)CCC(C1(Br)C)=O)=O)C)=O
SPLASH splash10-0096-9710000000-38b2973f6a9eea161125
Wiley ID 1452583