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1,2-Dimethoxy-4-(2-methyl-2-nitropropyl)benzene

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

1,2-Dimethoxy-4-(2-methyl-2-nitropropyl)benzene
SpectraBase Compound ID 7KRtnNHhBtW
InChI InChI=1S/C12H17NO4/c1-12(2,13(14)15)8-9-5-6-10(16-3)11(7-9)17-4/h5-7H,8H2,1-4H3
InChIKey WLGHMIJWWCFWRZ-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JZJqtEnmekG
Name 1,2-Dimethoxy-4-(2-methyl-2-nitropropyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.115758027 u
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-12(2,13(14)15)8-9-5-6-10(16-3)11(7-9)17-4/h5-7H,8H2,1-4H3
InChIKey WLGHMIJWWCFWRZ-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES N(=O)(=O)C(CC=1C=C(C(=CC1)OC)OC)(C)C
Spectrum/Structure Validation Score (Raman) 0.959923