| SpectraBase Spectrum ID |
CDAryDU1K4D |
| Name |
Phthalic acid, 3-(2-methoxyethyl)heptyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.303224447 u |
| Formula |
C26H42O5 |
| InChI |
InChI=1S/C26H42O5/c1-4-6-8-9-10-13-19-30-25(27)23-15-11-12-16-24(23)26(28)31-21-18-22(14-7-5-2)17-20-29-3/h11-12,15-16,22H,4-10,13-14,17-21H2,1-3H3 |
| InChIKey |
UBTPIAGROXZFCZ-UHFFFAOYSA-N |
| Molecular Weight |
434.617 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OCCCCCCCC)=O)C(OCCC(CCCC)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855635 |
