SpectraBase Spectrum ID |
AiGa1smDVdC |
Name |
4-[4'-(Methoxymethoxy)-1',5'-dimethylhexyl]-2-methylcyclopentanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
270.219494823 u |
Formula |
C16H30O3 |
InChI |
InChI=1S/C16H30O3/c1-11(2)16(19-10-18-5)7-6-12(3)14-8-13(4)15(17)9-14/h11-14,16H,6-10H2,1-5H3 |
InChIKey |
RYBOSXKUCIWHAK-UHFFFAOYSA-N |
Molecular Weight |
270.413 g/mol |
SMILES |
C1(CC(C(CCC(C(C)C)OCOC)C)CC1C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907681 |