| SpectraBase Spectrum ID |
LuCUhpjHqDg |
| Name |
Phthalic acid, 5-methoxy-3-methylpentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.178023932 u |
| Formula |
C18H26O5 |
| InChI |
InChI=1S/C18H26O5/c1-4-11-22-17(19)15-7-5-6-8-16(15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey |
SRCGZJQLBCORKI-UHFFFAOYSA-N |
| Molecular Weight |
322.401 g/mol |
| SMILES |
C(CCOC(C1=C(C=CC=C1)C(OCCC)=O)=O)(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926523 |
