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Succinic acid, 8-bromooctyl isobutyl ester
SpectraBase Compound ID 7ZGLZ9PN6A3
InChI InChI=1S/C16H29BrO4/c1-14(2)13-21-16(19)10-9-15(18)20-12-8-6-4-3-5-7-11-17/h14H,3-13H2,1-2H3
InChIKey ZUIFKCRYLRMLPM-UHFFFAOYSA-N
Mol Weight 365.31 g/mol
Molecular Formula C16H29BrO4
Exact Mass 364.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KC2sJHAYhRo
Name Succinic acid, 8-bromooctyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.124922410 u
Formula C16H29BrO4
InChI InChI=1S/C16H29BrO4/c1-14(2)13-21-16(19)10-9-15(18)20-12-8-6-4-3-5-7-11-17/h14H,3-13H2,1-2H3
InChIKey ZUIFKCRYLRMLPM-UHFFFAOYSA-N
Molecular Weight 365.308 g/mol
SMILES C(CCC(OCCCCCCCCBr)=O)(OCC(C)C)=O