| SpectraBase Spectrum ID |
IjJyKNTx2rV |
| Name |
6-Bromohexanoic acid, 4-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.213343494 u |
| Formula |
C20H39BrO2 |
| InChI |
InChI=1S/C20H39BrO2/c1-3-5-6-7-8-9-10-12-16-19(15-4-2)23-20(22)17-13-11-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey |
CFHTXUJYJWNLSJ-UHFFFAOYSA-N |
| Molecular Weight |
391.434 g/mol |
| SMILES |
C(CCCCC(=O)OC(CCC)CCCCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915617 |
