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5-Bromopentanoic acid, 3-phenylpropyl ester
SpectraBase Compound ID FHT4ps4jX5A
InChI InChI=1S/C14H19BrO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKey HSVGSIDBYDGYRC-UHFFFAOYSA-N
Mol Weight 299.21 g/mol
Molecular Formula C14H19BrO2
Exact Mass 298.056843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1H2H37SR4bo
Name 5-Bromopentanoic acid, 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 298.056842850 u
Formula C14H19BrO2
InChI InChI=1S/C14H19BrO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKey HSVGSIDBYDGYRC-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)CCCOC(CCCCBr)=O