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1-Chloro-3-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene

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

1-Chloro-3-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
SpectraBase Compound ID 1Yz7h9e0q9S
InChI InChI=1S/C12H14ClNO2/c1-3-11(12(4-2)14(15)16)9-6-5-7-10(13)8-9/h3,5-8,11-12H,1,4H2,2H3/t11-,12-/m1/s1
InChIKey NYGVHOGFPMIRGH-VXGBXAGGSA-N
Mol Weight 239.7 g/mol
Molecular Formula C12H14ClNO2
Exact Mass 239.071306 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FZXUjM07iwF
Name 1-Chloro-3-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.071306393 u
Formula C12H14ClNO2
InChI InChI=1S/C12H14ClNO2/c1-3-11(12(4-2)14(15)16)9-6-5-7-10(13)8-9/h3,5-8,11-12H,1,4H2,2H3/t11-,12-/m1/s1
InChIKey NYGVHOGFPMIRGH-VXGBXAGGSA-N
Molecular Weight 239.702 g/mol
SMILES C=1(C=C(C=CC1)[C@@](C=C)([C@]([N+](=O)[O-])(CC)[H])[H])Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862817