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(2S,6R')-2-(6-Methylnonyl)oxirane

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

(2S,6R')-2-(6-Methylnonyl)oxirane
SpectraBase Compound ID 2kNsunUk5ev
InChI InChI=1S/C12H24O/c1-3-7-11(2)8-5-4-6-9-12-10-13-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKey VTLISEJVVUQAFJ-NEPJUHHUSA-N
Mol Weight 184.32 g/mol
Molecular Formula C12H24O
Exact Mass 184.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DNmZUMb4fcD
Name (2S,6R')-2-(6-Methylnonyl)oxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.182715392 u
Formula C12H24O
InChI InChI=1S/C12H24O/c1-3-7-11(2)8-5-4-6-9-12-10-13-12/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKey VTLISEJVVUQAFJ-NEPJUHHUSA-N
Molecular Weight 184.323 g/mol
SMILES C1O[C@]1(CCCCC[C@@](CCC)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873003