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Ethyl 2-(2-Bromomethyl)-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer
SpectraBase Compound ID Forl2eh6kL7
InChI InChI=1S/C12H17BrO3/c1-2-15-12(14)10-5-3-4-8-6-9(7-13)16-11(8)10/h8-9H,2-7H2,1H3
InChIKey AWRWUFOMZXPEDL-UHFFFAOYSA-N
Mol Weight 289.17 g/mol
Molecular Formula C12H17BrO3
Exact Mass 288.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll1FAABAWRH
Name Ethyl 2-(2-Bromomethyl)-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrO3
InChI InChI=1S/C12H17BrO3/c1-2-15-12(14)10-5-3-4-8-6-9(7-13)16-11(8)10/h8-9H,2-7H2,1H3
InChIKey AWRWUFOMZXPEDL-UHFFFAOYSA-N
Molecular Weight 289.169 g/mol
SMILES C12=C(C(=O)OCC)CCCC2CC(O1)CBr
SPLASH splash10-08fs-2960000000-00f54b66dc49926877fe
Source of Spectrum F-70-10021-21
Synonyms Ethyl 2-(bromomethyl)-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate Ethyl 2-(bromomethyl)-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
Wiley ID 1597901