| SpectraBase Compound ID | 4lrOmaF8TB8 |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-22-17(20)15-8-3-4-9-16(15)18(21)23-11-10-13-6-5-7-14(19)12-13/h3-9,12H,2,10-11H2,1H3 |
| InChIKey | HDVASJDLQFWOAC-UHFFFAOYSA-N |
| Mol Weight | 377.23 g/mol |
| Molecular Formula | C18H17BrO4 |
| Exact Mass | 376.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IKO4zyswGdf |
|---|---|
| Name | Phthalic acid, 2-(3-bromophenyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.031022023 u |
| Formula | C18H17BrO4 |
| InChI | InChI=1S/C18H17BrO4/c1-2-22-17(20)15-8-3-4-9-16(15)18(21)23-11-10-13-6-5-7-14(19)12-13/h3-9,12H,2,10-11H2,1H3 |
| InChIKey | HDVASJDLQFWOAC-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCC)=O |