| SpectraBase Spectrum ID |
JWzxbXkAq8w |
| Name |
Butyric acid, 2-phenyl-, dodec-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-16-19-24-22(23)21(4-2)20-17-14-13-15-18-20/h12-18,21H,3-11,19H2,1-2H3/b16-12+ |
| InChIKey |
OKASAXVDJXILIH-FOWTUZBSSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C(C(C(OC\C=C\CCCCCCCCC)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935618 |
