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(4S,5S,6R)-6-Methyl-5-nitro-4-(naphthalen-2-yl)cyclohex-1-enecarbaldehyde

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

(4S,5S,6R)-6-Methyl-5-nitro-4-(naphthalen-2-yl)cyclohex-1-enecarbaldehyde
SpectraBase Compound ID ABomPRGrGQn
InChI InChI=1S/C18H17NO3/c1-12-16(11-20)8-9-17(18(12)19(21)22)15-7-6-13-4-2-3-5-14(13)10-15/h2-8,10-12,17-18H,9H2,1H3/t12-,17+,18+/m1/s1
InChIKey XXKNLZUTDHSXHO-UUWFMWQGSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZ3aAlWteV
Name (4S,5S,6R)-6-Methyl-5-nitro-4-(naphthalen-2-yl)cyclohex-1-enecarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-12-16(11-20)8-9-17(18(12)19(21)22)15-7-6-13-4-2-3-5-14(13)10-15/h2-8,10-12,17-18H,9H2,1H3/t12-,17+,18+/m1/s1
InChIKey XXKNLZUTDHSXHO-UUWFMWQGSA-N
SMILES [C@]1(N(=O)=O)([C@](C=2C=C3C=CC=CC3=CC2)(CC=C([C@]1(C)[H])C=O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884048