| SpectraBase Spectrum ID |
zyNlVcc9Ux |
| Name |
Butyric acid, 2-phenyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-26(27)25(4-2)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3 |
| InChIKey |
VCBGZCACXQSZEU-UHFFFAOYSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCC)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951222 |
