SpectraBase Spectrum ID |
Gnqji1ykKN5 |
Name |
2(5H)-Furanone, 5-(7-hydroxy-6-methyloctyl)-, methyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.172544630 u |
Formula |
C14H24O3 |
InChI |
InChI=1S/C14H24O3/c1-11(12(2)16-3)7-5-4-6-8-13-9-10-14(15)17-13/h9-13H,4-8H2,1-3H3 |
InChIKey |
JHQQROJHKTZMQO-UHFFFAOYSA-N |
Molecular Weight |
240.343 g/mol |
SMILES |
C1=CC(OC1=O)CCCCCC(C)C(C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825556 |