| SpectraBase Spectrum ID |
38sJBiEeut2 |
| Name |
Valeric acid, 4-(2,5-xylyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-10-5-6-11(2)13(9-10)12(3)7-8-14(15)16-4/h5-6,9,12H,7-8H2,1-4H3 |
| InChIKey |
ULDJFRVECKHMMR-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(C(C)C1=C(C)C=CC(=C1)C)CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938295 |
