| SpectraBase Spectrum ID |
3wwv4d7l1LR |
| Name |
Phthalic acid, butyl 3-(2-methoxyethyl)heptyl 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/c1-4-6-10-18(13-16-25-3)14-17-27-22(24)20-12-9-8-11-19(20)21(23)26-15-7-5-2/h8-9,11-12,18H,4-7,10,13-17H2,1-3H3 |
| InChIKey |
OSFWJQJMYGTJFK-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(OCCC(CCCC)CCOC)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926212 |
