For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Tert-butyl-3-(1,7-dioxo-4,5-dimethylhept-2-en-1-yl)tetrahydro-2-oxazolone

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

4-Tert-butyl-3-(1,7-dioxo-4,5-dimethylhept-2-en-1-yl)tetrahydro-2-oxazolone
SpectraBase Compound ID D4DRzacIqgL
InChI InChI=1S/C16H25NO4/c1-11(12(2)8-9-18)6-7-14(19)17-13(16(3,4)5)10-21-15(17)20/h6-7,9,11-13H,8,10H2,1-5H3/b7-6+
InChIKey ZKYDERLXAUJFFA-VOTSOKGWSA-N
Mol Weight 295.38 g/mol
Molecular Formula C16H25NO4
Exact Mass 295.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1D6idlxrzKE
Name 4-Tert-butyl-3-(1,7-dioxo-4,5-dimethylhept-2-en-1-yl)tetrahydro-2-oxazolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.178358285 u
Formula C16H25NO4
InChI InChI=1S/C16H25NO4/c1-11(12(2)8-9-18)6-7-14(19)17-13(16(3,4)5)10-21-15(17)20/h6-7,9,11-13H,8,10H2,1-5H3/b7-6+
InChIKey ZKYDERLXAUJFFA-VOTSOKGWSA-N
SMILES C1(N(C(CO1)C(C)(C)C)C(\C=C\C(C(CC=O)C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959651