| SpectraBase Spectrum ID |
C1exPdxpyeM |
| Name |
Succinic acid, 3-bromophenethyl butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.062322152 u |
| Formula |
C16H21BrO4 |
| InChI |
InChI=1S/C16H21BrO4/c1-2-3-10-20-15(18)7-8-16(19)21-11-9-13-5-4-6-14(17)12-13/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey |
DYFAWBCUGNUVEW-UHFFFAOYSA-N |
| Molecular Weight |
357.244 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931284 |
