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(4S,5S,6R)-6-Methyl-5-nitro-4-(4-chlorophenyl)cyclohex-1-enecarbaldehyde

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RwnmltrQ6v
Name (4S,5S,6R)-6-Methyl-5-nitro-4-(4-chlorophenyl)cyclohex-1-enecarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.066221012 u
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
SMILES [C@]1(N(=O)=O)([C@@](CC=C([C@]1(C)[H])C=O)(C1=CC=C(Cl)C=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893433