SpectraBase Spectrum ID |
2CvnixmevQE |
Name |
Butanoic acid, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
202.120509056 u |
Formula |
C10H18O4 |
InChI |
InChI=1S/C10H18O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h10H,2-8H2,1H3 |
InChIKey |
GCDDWHAOKKZJLL-UHFFFAOYSA-N |
Molecular Weight |
202.250 g/mol |
SMILES |
C(=O)(CCCOC1OCCCC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959563 |