| SpectraBase Spectrum ID |
LWsvmMTaX9Q |
| Name |
Phthalic acid, 2-(2-methoxyethyl)hexyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.240624190 u |
| Formula |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-4-6-10-15-26-21(23)19-12-8-9-13-20(19)22(24)27-17-18(11-7-5-2)14-16-25-3/h8-9,12-13,18H,4-7,10-11,14-17H2,1-3H3 |
| InChIKey |
BPBNQKJHIDZMNJ-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(COC(C1=C(C=CC=C1)C(=O)OCCCCC)=O)(CCCC)CCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963396 |
