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Cyclohexanone, 2-hydroxy-2-(2-nitro-1-phenylethyl)-
SpectraBase Compound ID HMGsoz2An7W
InChI InChI=1S/C14H17NO4/c16-13-8-4-5-9-14(13,17)12(10-15(18)19)11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10H2
InChIKey YMOPRWXQKAYZGE-UHFFFAOYSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtkzdzMo8rN
Name Cyclohexanone, 2-hydroxy-2-(2-nitro-1-phenylethyl)-
CAS Registry Number 91420-88-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c16-13-8-4-5-9-14(13,17)12(10-15(18)19)11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10H2
InChIKey YMOPRWXQKAYZGE-UHFFFAOYSA-N
Molecular Weight 263.293 g/mol
SMILES OC1(C(CN(=O)=O)c2ccccc2)C(=O)CCCC1
SPLASH splash10-0udi-1900000000-3e54414e64270c493754
Source of Spectrum B-37-594-0
Synonyms 2-Hydroxy-2-(2'-nitro-1'-phenylethyl)cyclohexan-1-one 2-hydroxy-2-(2-nitro-1-phenylethyl)cyclohexanone
Wiley ID 1266850