| SpectraBase Spectrum ID |
BqgqM1GwJDn |
| Name |
6-Bromohexanoic acid, 4-hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.244643623 u |
| Formula |
C22H43BrO2 |
| InChI |
InChI=1S/C22H43BrO2/c1-3-5-6-7-8-9-10-11-12-14-18-21(17-4-2)25-22(24)19-15-13-16-20-23/h21H,3-20H2,1-2H3 |
| InChIKey |
XXMUXYFPAPTIHD-UHFFFAOYSA-N |
| Molecular Weight |
419.488 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)CCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897109 |
