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1-Methoxy-4-(2-nitro-1-p-tolylethyl)benzene

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

1-Methoxy-4-(2-nitro-1-p-tolylethyl)benzene
SpectraBase Compound ID Lrp591F5y38
InChI InChI=1S/C16H17NO3/c1-12-3-5-13(6-4-12)16(11-17(18)19)14-7-9-15(20-2)10-8-14/h3-10,16H,11H2,1-2H3
InChIKey WVOFIHXXDBYJBP-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AlDBSEsLucW
Name 1-Methoxy-4-(2-nitro-1-p-tolylethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.120843408 u
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-12-3-5-13(6-4-12)16(11-17(18)19)14-7-9-15(20-2)10-8-14/h3-10,16H,11H2,1-2H3
InChIKey WVOFIHXXDBYJBP-UHFFFAOYSA-N
SMILES C(N(=O)=O)C(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893212