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1-(2-Nitrobenzoyl)-2-pyrrolidone

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

1-(2-Nitrobenzoyl)-2-pyrrolidone
SpectraBase Compound ID 3ATAX2I5047
InChI InChI=1S/C11H10N2O4/c14-10-6-3-7-12(10)11(15)8-4-1-2-5-9(8)13(16)17/h1-2,4-5H,3,6-7H2
InChIKey MXJHINFPMQLYCL-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C11H10N2O4
Exact Mass 234.064057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G2cRl5tDh7b
Name 1-(2-Nitrobenzoyl)-2-pyrrolidone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.064056806 u
Formula C11H10N2O4
InChI InChI=1S/C11H10N2O4/c14-10-6-3-7-12(10)11(15)8-4-1-2-5-9(8)13(16)17/h1-2,4-5H,3,6-7H2
InChIKey MXJHINFPMQLYCL-UHFFFAOYSA-N
Molecular Weight 234.211 g/mol
SMILES C(N1C(=O)CCC1)(C=1C(N(=O)=O)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981431