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2-[1-(4-methoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one
SpectraBase Compound ID 48GexesnzyB
InChI InChI=1S/C15H19NO4/c1-20-12-8-6-11(7-9-12)14(10-16(18)19)13-4-2-3-5-15(13)17/h6-9,13-14H,2-5,10H2,1H3
InChIKey FYWYIIZOPMFOGB-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p5cQKI9cSP
Name 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]cyclohexan-1-one
Alternate Name(s) 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]cyclohexanone 2-[1-(4-methoxyphenyl)-2-nitroethyl]-1-cyclohexanone
CAS Registry Number 67861-09-0
Comments Less than 3 mono-isotopic peaks
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Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c1-20-12-8-6-11(7-9-12)14(10-16(18)19)13-4-2-3-5-15(13)17/h6-9,13-14H,2-5,10H2,1H3
InChIKey FYWYIIZOPMFOGB-UHFFFAOYSA-N
Molecular Weight 277.320 g/mol
SMILES c1(ccc(cc1)C(C1CCCCC1=O)CN(=O)=O)OC
SPLASH splash10-0udi-0090000000-558e92f82790021aece1
Source of Spectrum I-65-847-0
Wiley ID 1281017