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3-Methyl-4-nitro-2-(2-propenyl)phenol

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3-Methyl-4-nitro-2-(2-propenyl)phenol
SpectraBase Compound ID HHztWmJICc8
InChI InChI=1S/C10H11NO3/c1-3-4-8-7(2)9(11(13)14)5-6-10(8)12/h3,5-6,12H,1,4H2,2H3
InChIKey IBMGVEPBEXXPQB-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 BPnnqcFpsIX
Name 3-Methyl-4-nitro-2-(2-propenyl)phenol
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/c1-3-4-8-7(2)9(11(13)14)5-6-10(8)12/h3,5-6,12H,1,4H2,2H3
InChIKey IBMGVEPBEXXPQB-UHFFFAOYSA-N
Molecular Weight 193.202 g/mol
SMILES C=1(N(=O)=O)C(=C(CC=C)C(=CC1)O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956092