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4-Cyclopropylcarbonyl-2-nitroanisole

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

4-Cyclopropylcarbonyl-2-nitroanisole
SpectraBase Compound ID Sr8RPsIM2q
InChI InChI=1S/C11H11NO4/c1-16-10-5-4-8(6-9(10)12(14)15)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKey ZNQJMDUXGLILIT-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2idqKvpyqeL
Name 4-Cyclopropylcarbonyl-2-nitroanisole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.068807834 u
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-16-10-5-4-8(6-9(10)12(14)15)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKey ZNQJMDUXGLILIT-UHFFFAOYSA-N
Molecular Weight 221.212 g/mol
SMILES C=1(N(=O)=O)C=C(C(C2CC2)=O)C=CC1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837989