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1,3-Benzenediol, o-(6-bromohexanoyl)-o'-(3-phenylpropionyl)-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(6-bromohexanoyl)-o'-(3-phenylpropionyl)-
SpectraBase Compound ID 8nGV0RtFO8C
InChI InChI=1S/C21H23BrO4/c22-15-6-2-5-12-20(23)25-18-10-7-11-19(16-18)26-21(24)14-13-17-8-3-1-4-9-17/h1,3-4,7-11,16H,2,5-6,12-15H2
InChIKey KUOYSOWKHNOHCU-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C21H23BrO4
Exact Mass 418.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxswxqRxAfv
Name 1,3-Benzenediol, o-(6-bromohexanoyl)-o'-(3-phenylpropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.077972217 u
Formula C21H23BrO4
InChI InChI=1S/C21H23BrO4/c22-15-6-2-5-12-20(23)25-18-10-7-11-19(16-18)26-21(24)14-13-17-8-3-1-4-9-17/h1,3-4,7-11,16H,2,5-6,12-15H2
InChIKey KUOYSOWKHNOHCU-UHFFFAOYSA-N
Molecular Weight 419.315 g/mol
SMILES C1=C(C=CC=C1OC(=O)CCC1=CC=CC=C1)OC(=O)CCCCCBr