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alpha-Chloro-4-nitro-o-tolyl heptyl ether

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

alpha-Chloro-4-nitro-o-tolyl heptyl ether
SpectraBase Compound ID BQdIRtIsZQy
InChI InChI=1S/C14H20ClNO3/c1-2-3-4-5-6-9-19-14-8-7-13(16(17)18)10-12(14)11-15/h7-8,10H,2-6,9,11H2,1H3
InChIKey DCWMDOQOAHHINE-UHFFFAOYSA-N
Mol Weight 285.77 g/mol
Molecular Formula C14H20ClNO3
Exact Mass 285.113171 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9MhRD9aNTlf
Name alpha-Chloro-4-nitro-o-tolyl heptyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.113171205 u
Formula C14H20ClNO3
InChI InChI=1S/C14H20ClNO3/c1-2-3-4-5-6-9-19-14-8-7-13(16(17)18)10-12(14)11-15/h7-8,10H,2-6,9,11H2,1H3
InChIKey DCWMDOQOAHHINE-UHFFFAOYSA-N
Molecular Weight 285.771 g/mol
SMILES N(=O)(=O)C1=CC=C(C(=C1)CCl)OCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.809506