| SpectraBase Spectrum ID |
69957XLkveW |
| Name |
Benzoic acid, 3-formyl-2,4-dimethoxy-6-methyl-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-12-9-15(21-2)14(10-19)17(22-3)16(12)18(20)23-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey |
SWBBPSPNUVDJNV-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C=1(C(=C(C=O)C(=CC1C)OC)OC)C(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964807 |
