| SpectraBase Compound ID | 9eMnsHPUvYz |
|---|---|
| InChI | InChI=1S/C17H29BrO3/c1-13(9-10-16(18)17(4,5)20)7-6-8-14(2)11-12-21-15(3)19/h7,11,16,20H,6,8-10,12H2,1-5H3/b13-7+,14-11+ |
| InChIKey | KBQBDVLSWDLJLA-FYCHQBGDSA-N |
| Mol Weight | 361.32 g/mol |
| Molecular Formula | C17H29BrO3 |
| Exact Mass | 360.130008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BslPnSPVB9U |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H29O3Br |
| InChI | InChI=1S/C17H29BrO3/c1-13(9-10-16(18)17(4,5)20)7-6-8-14(2)11-12-21-15(3)19/h7,11,16,20H,6,8-10,12H2,1-5H3/b13-7+,14-11+ |
| InChIKey | KBQBDVLSWDLJLA-FYCHQBGDSA-N |
| Molecular Weight | 360.1292 |
| SMILES | OC(C(Br)CC\C(=C\CC\C(=C\COC(C)=O)C)C)(C)C |
| SPLASH | splash10-00m3-9410000000-ed61cc487a0a2819889f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |