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Threo-2-(Hydroxy-4'-nitrophenylmethyl)-1-phenylbutan-1-one
SpectraBase Compound ID EEzH8w1nMVv
InChI InChI=1S/C17H17NO4/c1-2-15(16(19)12-6-4-3-5-7-12)17(20)13-8-10-14(11-9-13)18(21)22/h3-11,15,17,20H,2H2,1H3/t15-,17+/m0/s1
InChIKey ANEINIBTTJQGCS-DOTOQJQBSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mifKB8PxY
Name Threo-2-(Hydroxy-4'-nitrophenylmethyl)-1-phenylbutan-1-one
Alternate Name(s) (R)-2-((S)-hydroxy(4-nitrophenyl)methyl)-1-phenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-2-15(16(19)12-6-4-3-5-7-12)17(20)13-8-10-14(11-9-13)18(21)22/h3-11,15,17,20H,2H2,1H3/t15-,17+/m0/s1
InChIKey ANEINIBTTJQGCS-DOTOQJQBSA-N
Literature Reference DOI 10.1002_1615-4169(200206)344_3-4_283
Molecular Weight 299.326 g/mol
SMILES O[C@@]([C@@](CC)(C(c1ccccc1)=O)[H])(c1ccc(cc1)[N+](=O)[O-])[H]
SPLASH splash10-052b-1900000000-1ab85eb2f0af5cea64c3
Source of Spectrum ASC-344-286-anti_5f
Wiley ID 1767182