| SpectraBase Spectrum ID |
HmfISworDzI |
| Name |
o-Anisic acid, dodec-9-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-14-17-23-20(21)18-15-12-13-16-19(18)22-2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey |
DPANNRKOCCGDMQ-UHFFFAOYSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OCCCCCCCCC#CCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920412 |
