| SpectraBase Spectrum ID |
JlYYRkz2kAM |
| Name |
p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.172544630 u |
| Formula |
C19H24O3 |
| InChI |
InChI=1S/C19H24O3/c1-6-7-15(4)18(13-8-14(2)3)22-19(20)16-9-11-17(21-5)12-10-16/h9-12,15,18H,2,6-7H2,1,3-5H3 |
| InChIKey |
ZXNBGPUXUJMIHT-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C(C=C1)C(OC(C(CCC)C)C#CC(=C)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96188 |
