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Methoxycolorenone

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

Methoxycolorenone
SpectraBase Compound ID GCnQfdEB0Mk
InChI InChI=1S/C16H26O2/c1-10-6-7-12(16(3,4)18-5)8-14-11(2)15(17)9-13(10)14/h10,12-13H,6-9H2,1-5H3/t10-,12?,13-/m0/s1
InChIKey FPFGCIHDTIGJQG-VLIRHVTKSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID REa7DhURRj
Name Methoxycolorenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-10-6-7-12(16(3,4)18-5)8-14-11(2)15(17)9-13(10)14/h10,12-13H,6-9H2,1-5H3/t10-,12?,13-/m0/s1
InChIKey FPFGCIHDTIGJQG-VLIRHVTKSA-N
Molecular Weight 250.382 g/mol
SMILES C1(=O)C[C@@]2(C(=C1C)CC(C(C)(C)OC)CC[C@@]2(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805524