| SpectraBase Spectrum ID |
4z0G7WhIzox |
| Name |
Methyl vanillate, 3-methylbutyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-10(2)7-8-18-12-6-5-11(14(15)17-4)9-13(12)16-3/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey |
HFRPUYLHEMVYJX-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(C1=CC(OC)=C(C=C1)OCCC(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886613 |
