| SpectraBase Spectrum ID |
84m9XwFERu6 |
| Name |
Phthalic acid, methyl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-4-6-7-8-11-14(5-2)22-18(20)16-13-10-9-12-15(16)17(19)21-3/h9-10,12-14H,4-6,11H2,1-3H3 |
| InChIKey |
FCJPERNSBJVTLZ-UHFFFAOYSA-N |
| SMILES |
C1=C(C(=CC=C1)C(OC)=O)C(OC(CC)CC#CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943781 |
