| SpectraBase Spectrum ID |
3IEVXPxULn4 |
| Name |
Succinic acid, 4-bromophenethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.077972217 u |
| Formula |
C17H23BrO4 |
| InChI |
InChI=1S/C17H23BrO4/c1-2-3-4-12-21-16(19)9-10-17(20)22-13-11-14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3 |
| InChIKey |
BMLPFMTZDQKNGY-UHFFFAOYSA-N |
| Molecular Weight |
371.271 g/mol |
| SMILES |
C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895132 |
