| SpectraBase Spectrum ID |
Lc0fUQ98uoG |
| Name |
Phthalic acid, ethyl 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 |
316.167459249 u |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-4-7-8-9-12-15(5-2)23-19(21)17-14-11-10-13-16(17)18(20)22-6-3/h10-11,13-15H,4-7,12H2,1-3H3 |
| InChIKey |
MICCKLDCPJEWIU-UHFFFAOYSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C1(=CC=CC=C1C(OC(CC)CC#CCCC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846801 |
