| SpectraBase Spectrum ID |
7c1GUqaiPdd |
| Name |
Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.031022023 u |
| Formula |
C16H17BrO4 |
| InChI |
InChI=1S/C16H17BrO4/c1-3-5-13(4-2)20-15(18)10-11-16(19)21-14-8-6-12(17)7-9-14/h6-9,13H,4,10-11H2,1-2H3 |
| InChIKey |
IMRSSGLAQWGJFY-UHFFFAOYSA-N |
| Molecular Weight |
353.212 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879638 |
