| SpectraBase Compound ID | 5fV9NLIwfka |
|---|---|
| InChI | InChI=1S/C16H21BrO/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3/b13-7- |
| InChIKey | PBNUEAOLMPSCQM-QPEQYQDCSA-N |
| Mol Weight | 309.25 g/mol |
| Molecular Formula | C16H21BrO |
| Exact Mass | 308.077578 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 30EbuDBd6A9 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H21OBr |
| InChI | InChI=1S/C16H21BrO/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3/b13-7- |
| InChIKey | PBNUEAOLMPSCQM-QPEQYQDCSA-N |
| Molecular Weight | 308.0770 |
| SMILES | Oc1c(cc(cc1)Br)C\C=C\(C)CCC=C(C)C |
| SPLASH | splash10-0829-7931000000-3e49476baca0ed81308f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |