| SpectraBase Spectrum ID |
JOS35luvmef |
| Name |
Terephthalic acid, butyl 2-formylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.115423675 u |
| Formula |
C19H18O5 |
| InChI |
InChI=1S/C19H18O5/c1-2-3-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-4-6-16(17)13-20/h4-11,13H,2-3,12H2,1H3 |
| InChIKey |
XEEKHZZGNZXZFM-UHFFFAOYSA-N |
| Molecular Weight |
326.348 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(=O)OC1=C(C=CC=C1)C=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883183 |
