SpectraBase Compound ID | 1dQg95vl1CL |
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InChI | InChI=1S/C14H17BrO2/c1-10(11-6-2-3-7-11)17-14(16)12-8-4-5-9-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3 |
InChIKey | ZZIKSDMSGNMPDR-UHFFFAOYSA-N |
Mol Weight | 297.19 g/mol |
Molecular Formula | C14H17BrO2 |
Exact Mass | 296.041193 g/mol |
SpectraBase Spectrum ID | KWMfaOo5id1 |
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Name | 2-Bromobenzoic acid, 1-cyclopentylethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.041192785 u |
Formula | C14H17BrO2 |
InChI | InChI=1S/C14H17BrO2/c1-10(11-6-2-3-7-11)17-14(16)12-8-4-5-9-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3 |
InChIKey | ZZIKSDMSGNMPDR-UHFFFAOYSA-N |
SMILES | C1C(CCC1)C(OC(C1=CC=CC=C1Br)=O)C |