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1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]benzene

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

1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]benzene
SpectraBase Compound ID 8oR2c6gXRf7
InChI InChI=1S/C16H17NO3/c1-11-8-12(2)13(3)16(9-11)20-10-14-4-6-15(7-5-14)17(18)19/h4-9H,10H2,1-3H3
InChIKey LXSJBABIWXHPNA-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 L0nsLIHTcoi
Name 1,2,5-Trimethyl-3-[(4-nitrobenzyl)oxy]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/c1-11-8-12(2)13(3)16(9-11)20-10-14-4-6-15(7-5-14)17(18)19/h4-9H,10H2,1-3H3
InChIKey LXSJBABIWXHPNA-UHFFFAOYSA-N
SMILES C=1(N(=O)=O)C=CC(COC=2C(=C(C)C=C(C2)C)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910235