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Pentan-3-one, 1-(1-perhydroazepinyl)-4,4-dimethyl-

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

Pentan-3-one, 1-(1-perhydroazepinyl)-4,4-dimethyl-
SpectraBase Compound ID Ex7dIGIFivD
InChI InChI=1S/C13H25NO/c1-13(2,3)12(15)8-11-14-9-6-4-5-7-10-14/h4-11H2,1-3H3
InChIKey PWCOVTDCSAVPDH-UHFFFAOYSA-N
Mol Weight 211.35 g/mol
Molecular Formula C13H25NO
Exact Mass 211.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C5x1BWEv2og
Name Pentan-3-one, 1-(1-perhydroazepinyl)-4,4-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.193614428 u
Formula C13H25NO
InChI InChI=1S/C13H25NO/c1-13(2,3)12(15)8-11-14-9-6-4-5-7-10-14/h4-11H2,1-3H3
InChIKey PWCOVTDCSAVPDH-UHFFFAOYSA-N
Molecular Weight 211.349 g/mol
SMILES C1CCCN(CC1)CCC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964499