| SpectraBase Spectrum ID |
6s0AswJe683 |
| Name |
Terephthalic acid, butyl 3-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.131073739 u |
| Formula |
C19H20O5 |
| InChI |
InChI=1S/C19H20O5/c1-3-4-12-23-18(20)14-8-10-15(11-9-14)19(21)24-17-7-5-6-16(13-17)22-2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey |
HXXUYJTYUWDNHU-UHFFFAOYSA-N |
| Molecular Weight |
328.364 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84159 |
