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4,4-Dimethyl-2-(1-nitromethylcyclohex-1-ylmethyl)dihydrooxazole

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

4,4-Dimethyl-2-(1-nitromethylcyclohex-1-ylmethyl)dihydrooxazole
SpectraBase Compound ID IvoSUZXrMZq
InChI InChI=1S/C13H22N2O3/c1-12(2)10-18-11(14-12)8-13(9-15(16)17)6-4-3-5-7-13/h3-10H2,1-2H3
InChIKey VKHOBCSOXFJQEB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C13H22N2O3
Exact Mass 254.163043 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5blzVyDSbXZ
Name 4,4-Dimethyl-2-(1-nitromethylcyclohex-1-ylmethyl)dihydrooxazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.163042573 u
Formula C13H22N2O3
InChI InChI=1S/C13H22N2O3/c1-12(2)10-18-11(14-12)8-13(9-15(16)17)6-4-3-5-7-13/h3-10H2,1-2H3
InChIKey VKHOBCSOXFJQEB-UHFFFAOYSA-N
Molecular Weight 254.330 g/mol
SMILES C(N(=O)=O)C1(CC2=NC(C)(C)CO2)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864281