| SpectraBase Spectrum ID |
DoJZ7tL7d30 |
| Name |
Ethyl vanillate, N-butyl 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/c1-4-6-9-18-12-8-7-11(10-13(12)16-3)14(15)17-5-2/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey |
UIRFUNVWHJKMIG-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C1=C(OCCCC)C(=CC(=C1)C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942197 |
