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(3R*,9S*)-3,9-Dimethylazonan-2-one

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

(3R*,9S*)-3,9-Dimethylazonan-2-one
SpectraBase Compound ID Dqw9izHC6rA
InChI InChI=1S/C10H19NO/c1-8-6-4-3-5-7-9(2)11-10(8)12/h8-9H,3-7H2,1-2H3,(H,11,12)/t8-,9+/m1/s1
InChIKey FTZUZJUIVRIMMU-BDAKNGLRSA-N
Mol Weight 169.27 g/mol
Molecular Formula C10H19NO
Exact Mass 169.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 70pzaoVVa5O
Name (3R*,9S*)-3,9-Dimethylazonan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 169.146664235 u
Formula C10H19NO
InChI InChI=1S/C10H19NO/c1-8-6-4-3-5-7-9(2)11-10(8)12/h8-9H,3-7H2,1-2H3,(H,11,12)/t8-,9+/m1/s1
InChIKey FTZUZJUIVRIMMU-BDAKNGLRSA-N
Molecular Weight 169.268 g/mol
SMILES C1C[C@@](C)(C(N[C@](CCC1)(C)[H])=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896133