| SpectraBase Spectrum ID |
3Z2ixJKYxeq |
| Name |
Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.146723803 u |
| Formula |
C19H22O5 |
| InChI |
InChI=1S/C19H22O5/c1-4-7-16(5-2)23-18(21)8-6-9-19(22)24-17-12-10-15(11-13-17)14(3)20/h10-13,16H,5-6,8-9H2,1-3H3 |
| InChIKey |
GTJOMMMYQCQVKR-UHFFFAOYSA-N |
| Molecular Weight |
330.380 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898321 |
