| SpectraBase Spectrum ID |
KghriOahB5v |
| Name |
Propanedioic acid, (6-phenyl-5-hexynyl)-, diethyl 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/c1-3-22-18(20)17(19(21)23-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,17H,3-6,11,15H2,1-2H3 |
| InChIKey |
JRJQQMLPONRJSV-UHFFFAOYSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)CCCCC#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924267 |
