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Ethyl (1R*,2R*)-5-Bromo-2-(2-chloro-3-cyclohexenyl)-3-oxa-5-hexenoate
SpectraBase Compound ID 3zDoim9bTID
InChI InChI=1S/C13H18BrClO3/c1-3-17-13(16)12(18-8-9(2)14)10-6-4-5-7-11(10)15/h5,7,10-12H,2-4,6,8H2,1H3/t10-,11?,12+/m0/s1
InChIKey XRRSHXOURBTCDZ-ASKATJPDSA-N
Mol Weight 337.64 g/mol
Molecular Formula C13H18BrClO3
Exact Mass 336.012785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP5DKeaiC2k
Name Ethyl (1R*,2R*)-5-Bromo-2-(2-chloro-3-cyclohexenyl)-3-oxa-5-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrClO3
InChI InChI=1S/C13H18BrClO3/c1-3-17-13(16)12(18-8-9(2)14)10-6-4-5-7-11(10)15/h5,7,10-12H,2-4,6,8H2,1H3/t10-,11?,12+/m0/s1
InChIKey XRRSHXOURBTCDZ-ASKATJPDSA-N
Molecular Weight 337.641 g/mol
SMILES [C@]([C@@]1(C(C=CCC1)Cl)[H])(C(=O)OCC)(OCC(=C)Br)[H]
SPLASH splash10-0udi-0098000000-74ccbbd3f3bfe8f344b9
Source of Spectrum J-62-2951-13
Wiley ID 1319738