| SpectraBase Compound ID | 5h5qlkiK032 |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-6(5-9)4-7(2)8(10)11-3/h6-7H,4-5H2,1-3H3 |
| InChIKey | RXZWTRCALGIOOC-UHFFFAOYSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C8H15BrO2 |
| Exact Mass | 222.025543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7joD4cwjoy1 |
|---|---|
| Name | VALERIC ACID, 5-BROMO-2,4-DIMETHYL-, METHYL ESTER, (2RS,4SR)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H15O2Br |
| InChI | InChI=1S/C8H15BrO2/c1-6(5-9)4-7(2)8(10)11-3/h6-7H,4-5H2,1-3H3 |
| InChIKey | RXZWTRCALGIOOC-UHFFFAOYSA-N |
| Molecular Weight | 222.0251 |
| SMILES | C(Br)C(C)CC(C)C(=O)OC |
| SPLASH | splash10-0k9x-9400000000-67c5808637ad2f76acb8 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |