| SpectraBase Compound ID | 9ovNMUTypte |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | BXRLUWIDTDLHQE-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 | C7PlggAZamS |
|---|---|
| Name | HEPTANOIC ACID, 7-BROMO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H15O2Br |
| InChI | InChI=1S/C8H15BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | BXRLUWIDTDLHQE-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 222.0251 |
| SMILES | C(Br)CCCCCC(OC)=O |
| SPLASH | splash10-00di-9100000000-f5965eac2579100fbb13 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |