| SpectraBase Compound ID | 2OPEX8Iikd4 |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-11-22-17(20)15-5-3-4-6-16(15)18(21)23-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | PDNDZDHQYMTRPB-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 | HTVXRMXNmFk |
|---|---|
| Name | Phthalic acid, 4-bromobenzyl propyl 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/c1-2-11-22-17(20)15-5-3-4-6-16(15)18(21)23-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | PDNDZDHQYMTRPB-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCC)=O)C(OCC1=CC=C(C=C1)Br)=O |