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4-(Acetylamino)-N-(4-nitrophenyl)butanamide

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4-(Acetylamino)-N-(4-nitrophenyl)butanamide
SpectraBase Compound ID B1qXP2Kkvik
InChI InChI=1S/C12H15N3O4/c1-9(16)13-8-2-3-12(17)14-10-4-6-11(7-5-10)15(18)19/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKey AXBWKVNOWZATIX-UHFFFAOYSA-N
Mol Weight 265.27 g/mol
Molecular Formula C12H15N3O4
Exact Mass 265.106256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KEAWVJdGMXm
Name 4-(Acetylamino)-N-(4-nitrophenyl)butanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.106255971 u
Formula C12H15N3O4
InChI InChI=1S/C12H15N3O4/c1-9(16)13-8-2-3-12(17)14-10-4-6-11(7-5-10)15(18)19/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKey AXBWKVNOWZATIX-UHFFFAOYSA-N
Molecular Weight 265.269 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)NC(=O)CCCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968648