| SpectraBase Spectrum ID |
H7TAABf1zDy |
| Name |
Phthalic acid, cyclohexyl 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 |
370.214409442 u |
| Formula |
C23H30O4 |
| InChI |
InChI=1S/C23H30O4/c1-3-5-6-8-13-18(4-2)26-22(24)20-16-11-12-17-21(20)23(25)27-19-14-9-7-10-15-19/h11-12,16-19H,3-5,7,9-10,13-15H2,1-2H3 |
| InChIKey |
VJOLSTAGVDVTQL-UHFFFAOYSA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
C(C(OC(=O)C1=C(C=CC=C1)C(OC1CCCCC1)=O)CC#CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829054 |
