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1-(4-Chlorophenyl)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propan-1-one
SpectraBase Compound ID 12n9edjC3Ec
InChI InChI=1S/C16H14ClNO4/c1-10(15(19)11-2-6-13(17)7-3-11)16(20)12-4-8-14(9-5-12)18(21)22/h2-10,16,20H,1H3/t10?,16-/m0/s1
InChIKey QKTULNAKKIWFFT-CSPPYYTDSA-N
Mol Weight 319.74 g/mol
Molecular Formula C16H14ClNO4
Exact Mass 319.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qLDwbtCXlC
Name 1-(4-Chlorophenyl)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propan-1-one
Alternate Name(s) (3S)-1-(4-chlorophenyl)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO4
InChI InChI=1S/C16H14ClNO4/c1-10(15(19)11-2-6-13(17)7-3-11)16(20)12-4-8-14(9-5-12)18(21)22/h2-10,16,20H,1H3/t10?,16-/m0/s1
InChIKey QKTULNAKKIWFFT-CSPPYYTDSA-N
Literature Reference DOI 10.1021/jo100275q
Molecular Weight 319.744 g/mol
SMILES O[C@](c1ccc([N+]([O-])=O)cc1)(C(C(c1ccc(cc1)Cl)=O)C)[H]
SPLASH splash10-029i-0900000000-84827c744a74a8de403b
Source of Spectrum J-75-4716/SMS50-27
Wiley ID 1751554