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N-butyl-2,5-dimethylbenzamide

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N-butyl-2,5-dimethylbenzamide
SpectraBase Compound ID CVKago2GyhU
InChI InChI=1S/C13H19NO/c1-4-5-8-14-13(15)12-9-10(2)6-7-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey VVDLROHXLWSHQY-UHFFFAOYSA-N
Mol Weight 205.3 g/mol
Molecular Formula C13H19NO
Exact Mass 205.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 666BNELDuZx
Name N-Butyl-2,5-dimethylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.146664235 u
Formula C13H19NO
InChI InChI=1S/C13H19NO/c1-4-5-8-14-13(15)12-9-10(2)6-7-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey VVDLROHXLWSHQY-UHFFFAOYSA-N
Molecular Weight 205.301 g/mol
SMILES C=1(C(=O)NCCCC)C(=CC=C(C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902837