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

*Links on SpectraBase are not permalinks.

(+)-12-Oxo-,alpha.-agarofuran

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

(+)-12-Oxo-,alpha.-agarofuran
SpectraBase Compound ID 3k2S7IgnWfQ
InChI InChI=1S/C15H22O2/c1-13(2)11-6-8-14(3)7-4-5-12(10-16)15(14,9-11)17-13/h5,10-11H,4,6-9H2,1-3H3/t11-,14+,15+/m1/s1
InChIKey FCFVWGUKCQLCOH-UGFHNGPFSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID FrpRhOgdXby
Name (+)-12-oxo-,alpha.-agarofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-13(2)11-6-8-14(3)7-4-5-12(10-16)15(14,9-11)17-13/h5,10-11H,4,6-9H2,1-3H3/t11-,14+,15+/m1/s1
InChIKey FCFVWGUKCQLCOH-UGFHNGPFSA-N
Molecular Weight 234.339 g/mol
SMILES [C@@]123OC(C)(C)[C@@](C3)(CC[C@@]1(CCC=C2C=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894257