| SpectraBase Spectrum ID |
AgdG96FmiXo |
| Name |
6-Bromohexanoic acid, 3-tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.197693429 u |
| Formula |
C19H37BrO2 |
| InChI |
InChI=1S/C19H37BrO2/c1-3-5-6-7-8-9-10-12-15-18(4-2)22-19(21)16-13-11-14-17-20/h18H,3-17H2,1-2H3 |
| InChIKey |
OVDFQFQSLKBKFR-UHFFFAOYSA-N |
| Molecular Weight |
377.407 g/mol |
| SMILES |
C(CCCCC(=O)OC(CC)CCCCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925276 |
