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1,3-Dinitro-3-methoxy-4,5-methylenedioxyphenyl-propane

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

1,3-Dinitro-3-methoxy-4,5-methylenedioxyphenyl-propane
SpectraBase Compound ID FiVcz3ODIzH
InChI InChI=1S/C11H12N2O7/c1-18-9-2-7(3-10-11(9)20-6-19-10)8(4-12(14)15)5-13(16)17/h2-3,8H,4-6H2,1H3
InChIKey ARFVHSZSWHYYPM-UHFFFAOYSA-N
Mol Weight 284.22 g/mol
Molecular Formula C11H12N2O7
Exact Mass 284.064451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9atkSvossA9
Name 1,3-Dinitro-3-methoxy-4,5-methylenedioxyphenyl-propane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.064450727 u
Formula C11H12N2O7
InChI InChI=1S/C11H12N2O7/c1-18-9-2-7(3-10-11(9)20-6-19-10)8(4-12(14)15)5-13(16)17/h2-3,8H,4-6H2,1H3
InChIKey ARFVHSZSWHYYPM-UHFFFAOYSA-N
Molecular Weight 284.224 g/mol
SMILES C12=C(C=C(C(C[N+](=O)[O-])C[N+](=O)[O-])C=C2OC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937678