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(4S,5S,6R)-6-Methyl-5-nitro-4-(4-chlorophenyl)cyclohex-1-enecarbaldehyde
SpectraBase Compound ID LVP1WM5t97j
InChI InChI=1S/C14H14ClNO3/c1-9-11(8-17)4-7-13(14(9)16(18)19)10-2-5-12(15)6-3-10/h2-6,8-9,13-14H,7H2,1H3/t9-,13+,14+/m1/s1
InChIKey KJDHJUNWBPQBIE-IIMNLJJBSA-N
Mol Weight 279.72 g/mol
Molecular Formula C14H14ClNO3
Exact Mass 279.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYUG9YtfKJu
Name (4S,5S,6R)-6-Methyl-5-nitro-4-(4-chlorophenyl)cyclohex-1-enecarbaldehyde
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Formula C14H14ClNO3
InChI InChI=1S/C14H14ClNO3/c1-9-11(8-17)4-7-13(14(9)16(18)19)10-2-5-12(15)6-3-10/h2-6,8-9,13-14H,7H2,1H3/t9-,13+,14+/m1/s1
InChIKey KJDHJUNWBPQBIE-IIMNLJJBSA-N
Molecular Weight 279.723 g/mol
SMILES [C@]1(N(=O)=O)([C@@](CC=C([C@]1(C)[H])C=O)(c1ccc(Cl)cc1)[H])[H]
SPLASH splash10-003r-0970000000-8012bef76e08452fee60
Source of Spectrum F4-42-570-3c
Synonyms (4S,5S,6R)-4-(4-chlorophenyl)-6-methyl-5-nitro-1-cyclohexenecarboxaldehyde (4S,5S,6R)-4-(4-chlorophenyl)-6-methyl-5-nitrocyclohexene-1-carbaldehyde
Wiley ID 1673612