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N-(1-methoxy-6-oxidanylidene-hexan-2-yl)benzamide

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

N-(1-methoxy-6-oxidanylidene-hexan-2-yl)benzamide
SpectraBase Compound ID B3zOI2tgTRZ
InChI InChI=1S/C14H19NO3/c1-18-11-13(9-5-6-10-16)15-14(17)12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,15,17)
InChIKey JQPWUQQZCASGOG-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G1eybWneaQS
Name N-(1-Methoxy-6-oxidanylidene-hexan-2-yl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.136493473 u
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-18-11-13(9-5-6-10-16)15-14(17)12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,15,17)
InChIKey JQPWUQQZCASGOG-UHFFFAOYSA-N
Molecular Weight 249.310 g/mol
SMILES C(NC(COC)CCCC=O)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885412