| SpectraBase Compound ID | BabelE40Rpz |
|---|---|
| InChI | InChI=1S/C17H23BrO/c1-13(2)6-5-7-14(3)8-9-15-12-16(18)10-11-17(15)19-4/h6,8,10-12H,5,7,9H2,1-4H3/b14-8+ |
| InChIKey | CJCGBXLHCMWSOV-RIYZIHGNSA-N |
| Mol Weight | 323.27 g/mol |
| Molecular Formula | C17H23BrO |
| Exact Mass | 322.093228 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DEdt5hMYnqd |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H23OBr |
| InChI | InChI=1S/C17H23BrO/c1-13(2)6-5-7-14(3)8-9-15-12-16(18)10-11-17(15)19-4/h6,8,10-12H,5,7,9H2,1-4H3/b14-8+ |
| InChIKey | CJCGBXLHCMWSOV-RIYZIHGNSA-N |
| Molecular Weight | 322.0926 |
| SMILES | c1(Br)ccc(OC)c(C\C=C\(CCC=C(C)C)C)c1 |
| SPLASH | splash10-00di-3910000000-3a77b94e568b8a3a2bf6 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |