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2-Methyl-8-nitro-3,4-dihydro-2H-benzopyran
SpectraBase Compound ID 5Hke0FcEMV3
InChI InChI=1S/C10H11NO3/c1-7-5-6-8-3-2-4-9(11(12)13)10(8)14-7/h2-4,7H,5-6H2,1H3
InChIKey YHVDGPPWUNCQOS-UHFFFAOYSA-N
Mol Weight 193.2 g/mol
Molecular Formula C10H11NO3
Exact Mass 193.073893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6oTKUXFww8t
Name 2-Methyl-8-nitro-3,4-dihydro-2H-benzopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.073893215 u
Formula C10H11NO3
InChI InChI=1S/C10H11NO3/c1-7-5-6-8-3-2-4-9(11(12)13)10(8)14-7/h2-4,7H,5-6H2,1H3
InChIKey YHVDGPPWUNCQOS-UHFFFAOYSA-N
Molecular Weight 193.202 g/mol
SMILES C1(N(=O)=O)=C2OC(C)CCC2=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91453