| SpectraBase Compound ID | 2jjd2uUx25V |
|---|---|
| InChI | InChI=1S/C18H25BrO5/c1-4-5-6-7-13(2)23-17(20)10-11-18(21)24-15-9-8-14(19)12-16(15)22-3/h8-9,12-13H,4-7,10-11H2,1-3H3 |
| InChIKey | WSRGBGZZOIWFCW-UHFFFAOYSA-N |
| Mol Weight | 401.3 g/mol |
| Molecular Formula | C18H25BrO5 |
| Exact Mass | 400.088537 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 | 3aar4uxFwxo |
|---|---|
| Name | Succinic acid, hept-2-yl 4-bromo-2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.088536900 u |
| Formula | C18H25BrO5 |
| InChI | InChI=1S/C18H25BrO5/c1-4-5-6-7-13(2)23-17(20)10-11-18(21)24-15-9-8-14(19)12-16(15)22-3/h8-9,12-13H,4-7,10-11H2,1-3H3 |
| InChIKey | WSRGBGZZOIWFCW-UHFFFAOYSA-N |
| Molecular Weight | 401.297 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC1=C(C=C(C=C1)Br)OC)=O |