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3-(Chloromethyl)-4-hydroxy-4-(2'-nitrophenyl)-2-butanone

View entire compound with spectra: 1 MS (GC)

3-(Chloromethyl)-4-hydroxy-4-(2'-nitrophenyl)-2-butanone
SpectraBase Compound ID LsMoUOC6rQJ
InChI InChI=1S/C11H12ClNO4/c1-7(14)9(6-12)11(15)8-4-2-3-5-10(8)13(16)17/h2-5,9,11,15H,6H2,1H3
InChIKey UCTQGVZCSDULKI-UHFFFAOYSA-N
Mol Weight 257.67 g/mol
Molecular Formula C11H12ClNO4
Exact Mass 257.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cofdXMNpTU
Name 3-(Chloromethyl)-4-hydroxy-4-(2'-nitrophenyl)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClNO4
InChI InChI=1S/C11H12ClNO4/c1-7(14)9(6-12)11(15)8-4-2-3-5-10(8)13(16)17/h2-5,9,11,15H,6H2,1H3
InChIKey UCTQGVZCSDULKI-UHFFFAOYSA-N
Molecular Weight 257.673 g/mol
SMILES OC(c1c(N(=O)=O)cccc1)C(C(=O)C)CCl
SPLASH splash10-05fr-9050000000-97d27dac6c1f1f4d0261
Source of Spectrum J-66-409-1
Synonyms 3-(chloromethyl)-4-hydroxy-4-(2-nitrophenyl)-2-butanone 3-(Chloromethyl)-4-hydroxy-4-(3'-nitrophenyl)-2-butanone anti-3-(Chloromethyl)-4-hydroxy-4-(2'-nitrophenyl)-2-butanone syn-3-(Chloromethyl)-4-hydroxy-4-(2'-nitrophenyl)-2-butanone
Wiley ID 1534263