| SpectraBase Compound ID | Cpgt7Rie5N6 |
|---|---|
| InChI | InChI=1S/C19H27BrO5/c1-4-5-6-8-14(2)24-18(21)9-7-10-19(22)25-16-12-11-15(20)13-17(16)23-3/h11-14H,4-10H2,1-3H3 |
| InChIKey | RKPCCMDYHAJOGN-UHFFFAOYSA-N |
| Mol Weight | 415.32 g/mol |
| Molecular Formula | C19H27BrO5 |
| Exact Mass | 414.104187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcKnpED5Sw3 |
|---|---|
| Name | Glutaric 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 | 414.104186964 u |
| Formula | C19H27BrO5 |
| InChI | InChI=1S/C19H27BrO5/c1-4-5-6-8-14(2)24-18(21)9-7-10-19(22)25-16-12-11-15(20)13-17(16)23-3/h11-14H,4-10H2,1-3H3 |
| InChIKey | RKPCCMDYHAJOGN-UHFFFAOYSA-N |
| Molecular Weight | 415.324 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=CC=C(C=C1OC)Br)=O |