| SpectraBase Spectrum ID |
3mim20hDCA1 |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.037250219 u |
| Formula |
C16H18BrFO4 |
| InChI |
InChI=1S/C16H18BrFO4/c1-11(2)8-9-21-15(19)4-3-5-16(20)22-14-7-6-12(18)10-13(14)17/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey |
YMQXMHYWPYOANT-UHFFFAOYSA-N |
| Molecular Weight |
373.218 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC=1C(=CC(=CC1)F)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828017 |
