| SpectraBase Spectrum ID |
2qbEKQ3C5oC |
| Name |
Methyl vanillate, pentyl 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/c1-4-5-6-9-18-12-8-7-11(14(15)17-3)10-13(12)16-2/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey |
VJRFJGMPXURLEZ-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(C1=CC(OC)=C(C=C1)OCCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875231 |
