SpectraBase Spectrum ID |
7mOwoxsgKgo |
Name |
Glutaric acid, butyl tetrahydrofurfuryl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.162373868 u |
Formula |
C14H24O5 |
InChI |
InChI=1S/C14H24O5/c1-2-3-9-18-13(15)7-4-8-14(16)19-11-12-6-5-10-17-12/h12H,2-11H2,1H3 |
InChIKey |
QBHWJHBWBUUQRU-UHFFFAOYSA-N |
Molecular Weight |
272.341 g/mol |
SMILES |
CCCCOC(CCCC(OCC1CCCO1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800198 |