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1-(1-Hydroxycyclohexyl)-2-(4-nitrophenoxy)ethan-1-one
SpectraBase Compound ID 5Fa40SC6syv
InChI InChI=1S/C14H17NO5/c16-13(14(17)8-2-1-3-9-14)10-20-12-6-4-11(5-7-12)15(18)19/h4-7,17H,1-3,8-10H2
InChIKey VEOJQNTYNNUSHW-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQb0Y3xtIjy
Name 1-(1-Hydroxycyclohexyl)-2-(4-nitrophenoxy)ethan-1-one
Appearance Colorless crystals
Carrier Gas Helium (0.7 mL/min)
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Exact Mass 279.110672646 u
Formula C14H17NO5
GC Column (60 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C14H17NO5/c16-13(14(17)8-2-1-3-9-14)10-20-12-6-4-11(5-7-12)15(18)19/h4-7,17H,1-3,8-10H2
InChIKey VEOJQNTYNNUSHW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.44
Quality 654
SMILES OC1(C(=O)COC2=CC=C(C=C2)[N+]([O-])=O)CCCCC1
SPLASH splash10-0aov-9100000000-a2789848da241c871fad
Source of Spectrum BJO-18-SM7-4k (DOI: 10.3762/bjoc.18.44)
Wiley ID 1901282