| SpectraBase Compound ID | 6OhyqWBq1C8 |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3 |
| InChIKey | HZSMISAPEAXGKB-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 | HDPLlDZ701x |
|---|---|
| Name | Phthalic acid, 4-bromophenyl butyl 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/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3 |
| InChIKey | HZSMISAPEAXGKB-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | CCCCOC(C1=C(C(OC2=CC=C(C=C2)Br)=O)C=CC=C1)=O |