| SpectraBase Compound ID | F12uCloYpNc |
|---|---|
| InChI | InChI=1S/C18H29BrO3/c1-2-3-4-5-6-7-8-16-9-10-18(17(19)15-16)22-14-13-21-12-11-20/h9-10,15,20H,2-8,11-14H2,1H3 |
| InChIKey | QSZANBFFCAFJRT-UHFFFAOYSA-N |
| Mol Weight | 373.33 g/mol |
| Molecular Formula | C18H29BrO3 |
| Exact Mass | 372.130008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFSphKrdvSK |
|---|---|
| Name | br-Op2Eo |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.130007791 u |
| Formula | C18H29BrO3 |
| InChI | InChI=1S/C18H29BrO3/c1-2-3-4-5-6-7-8-16-9-10-18(17(19)15-16)22-14-13-21-12-11-20/h9-10,15,20H,2-8,11-14H2,1H3 |
| InChIKey | QSZANBFFCAFJRT-UHFFFAOYSA-N |
| Molecular Weight | 373.331 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCCCCCCC)OCCOCCO)Br |