| SpectraBase Spectrum ID |
3CjyoaLGa3I |
| Name |
Succinic acid, 4-chloro-3-methylphenyl 4-bromo-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.986964310 u |
| Formula |
C18H16BrClO5 |
| InChI |
InChI=1S/C18H16BrClO5/c1-11-9-13(4-5-14(11)20)24-17(21)7-8-18(22)25-15-6-3-12(19)10-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey |
LKQDVPUELRSKTC-UHFFFAOYSA-N |
| Molecular Weight |
427.678 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC1=C(C=C(C=C1)Br)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810995 |
