| SpectraBase Spectrum ID |
5VfYm5bvSXo |
| Name |
Propanedioic acid, 2-(3-phenyl-2-propyn-1-ylidene)-, 1,3-diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4H2,1-2H3 |
| InChIKey |
IVLDMYYWNWOSLO-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1(=CC=CC=C1)C#CC=C(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981209 |
