| SpectraBase Spectrum ID |
FXF53XlxrFD |
| Name |
Pentanoic acid, 2-methyl-2-(phenylmethoxy)-, methyl ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-4-10-14(2,13(15)16-3)17-11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3 |
| InChIKey |
PWCXWLSMWPYWJC-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(C(OCC1=CC=CC=C1)(CCC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958887 |
