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5-Anilino-2,3-dimethylhexan-3-ol

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-Anilino-2,3-dimethylhexan-3-ol
SpectraBase Compound ID HAH7Ug4pLMW
InChI InChI=1S/C14H23NO/c1-11(2)14(4,16)10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,15-16H,10H2,1-4H3
InChIKey QBEXJMOXOMABTA-UHFFFAOYSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vUQ3HGh84W
Name 5-Anilino-2,3-dimethylhexan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.177964364 u
Formula C14H23NO
InChI InChI=1S/C14H23NO/c1-11(2)14(4,16)10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,15-16H,10H2,1-4H3
InChIKey QBEXJMOXOMABTA-UHFFFAOYSA-N
Molecular Weight 221.344 g/mol
SMILES C(CC(NC1=CC=CC=C1)C)(C(C)C)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893415