| SpectraBase Spectrum ID |
IHRPkGZGjnx |
| Name |
1-Naphthoic acid, hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-3-8-14(4-2)19-17(18)16-12-7-10-13-9-5-6-11-15(13)16/h5-7,9-12,14H,4H2,1-2H3 |
| InChIKey |
FXZIUEILTHGESM-UHFFFAOYSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C12=CC=CC=C2C(=CC=C1)C(OC(CC)C#CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808784 |
