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Oxan-4-ol, 3-(1-perhydroazepinyl)-4-methyl-

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

Oxan-4-ol, 3-(1-perhydroazepinyl)-4-methyl-
SpectraBase Compound ID AE8ObfuvYd2
InChI InChI=1S/C12H23NO2/c1-12(14)6-9-15-10-11(12)13-7-4-2-3-5-8-13/h11,14H,2-10H2,1H3
InChIKey NQPQLYDWUQOOSR-UHFFFAOYSA-N
Mol Weight 213.32 g/mol
Molecular Formula C12H23NO2
Exact Mass 213.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID gKWRNCYVbX
Name Oxan-4-ol, 3-(1-perhydroazepinyl)-4-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.172878983 u
Formula C12H23NO2
InChI InChI=1S/C12H23NO2/c1-12(14)6-9-15-10-11(12)13-7-4-2-3-5-8-13/h11,14H,2-10H2,1H3
InChIKey NQPQLYDWUQOOSR-UHFFFAOYSA-N
Molecular Weight 213.321 g/mol
SMILES C1(N2CCCCCC2)C(CCOC1)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966107