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2,3-Dihydro-2,2,3-trimethyl-5,7-dinitrobenzofuran

View entire compound with spectra: 1 Raman, and 1 UV-Vis

2,3-Dihydro-2,2,3-trimethyl-5,7-dinitrobenzofuran
SpectraBase Compound ID GdZpi4d2PPF
InChI InChI=1S/C11H12N2O5/c1-6-8-4-7(12(14)15)5-9(13(16)17)10(8)18-11(6,2)3/h4-6H,1-3H3
InChIKey CWMSDGGFHVKNSO-UHFFFAOYSA-N
Mol Weight 252.23 g/mol
Molecular Formula C11H12N2O5
Exact Mass 252.074621 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HIT4tVwUT8U
Name 2,3-Dihydro-2,2,3-trimethyl-5,7-dinitrobenzofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.074621489 u
Formula C11H12N2O5
InChI InChI=1S/C11H12N2O5/c1-6-8-4-7(12(14)15)5-9(13(16)17)10(8)18-11(6,2)3/h4-6H,1-3H3
InChIKey CWMSDGGFHVKNSO-UHFFFAOYSA-N
Molecular Weight 252.226 g/mol
SMILES N(=O)(=O)C1=CC(=CC2=C1OC(C2C)(C)C)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.988817