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3-(4-Chlorophenyl)-4-methyl-4-nitropentanoic acid

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3-(4-Chlorophenyl)-4-methyl-4-nitropentanoic acid
SpectraBase Compound ID KBt2pLViuDf
InChI InChI=1S/C12H14ClNO4/c1-12(2,14(17)18)10(7-11(15)16)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey YZXTXIFAYBTNDA-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jbzdj7jZUiv
Name 3-(4-Chlorophenyl)-4-methyl-4-nitropentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO4
InChI InChI=1S/C12H14ClNO4/c1-12(2,14(17)18)10(7-11(15)16)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey YZXTXIFAYBTNDA-UHFFFAOYSA-N
Molecular Weight 271.700 g/mol
SMILES OC(CC(C(N(=O)=O)(C)C)c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0910000000-a33216018584695d0a13
Source of Spectrum B-47-1441-0
Wiley ID 1275112