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N-(Methoxymethylpyrrolidin-2-yl)azepin-2-one

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

N-(Methoxymethylpyrrolidin-2-yl)azepin-2-one
SpectraBase Compound ID JhUU1FXvwqc
InChI InChI=1S/C12H22N2O2/c1-16-10-13-8-5-6-11(13)14-9-4-2-3-7-12(14)15/h11H,2-10H2,1H3
InChIKey HQWVGTQLTTVKDB-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C12H22N2O2
Exact Mass 226.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4tG4moqPEcx
Name N-(Methoxymethylpyrrolidin-2-yl)azepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.168127954 u
Formula C12H22N2O2
InChI InChI=1S/C12H22N2O2/c1-16-10-13-8-5-6-11(13)14-9-4-2-3-7-12(14)15/h11H,2-10H2,1H3
InChIKey HQWVGTQLTTVKDB-UHFFFAOYSA-N
Molecular Weight 226.320 g/mol
SMILES C1(N2C(=O)CCCCC2)N(COC)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94831