| SpectraBase Spectrum ID |
ABqO3cPh0Rt |
| Name |
6-Bromohexanoic acid, tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.166393301 u |
| Formula |
C19H33BrO2 |
| InChI |
InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-10,12-14,16-18H2,1H3 |
| InChIKey |
QZODGTJJDJNAKI-UHFFFAOYSA-N |
| Molecular Weight |
373.375 g/mol |
| SMILES |
C(CCCCC(=O)OCC#CCCCCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870288 |
