| SpectraBase Spectrum ID |
1U9ChMa2UT6 |
| Name |
Phthalic acid, 3-(2-methoxyethyl)octyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.271924319 u |
| Formula |
C24H38O5 |
| InChI |
InChI=1S/C24H38O5/c1-4-6-8-12-20(15-18-27-3)16-19-29-24(26)22-14-10-9-13-21(22)23(25)28-17-11-7-5-2/h9-10,13-14,20H,4-8,11-12,15-19H2,1-3H3 |
| InChIKey |
HQGCVKKCSUMHQE-UHFFFAOYSA-N |
| Molecular Weight |
406.563 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OCCCCC)=O)C(OCCC(CCCCC)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85997 |
