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propanoic acid, 2-[[(2Z)-2-[(4-bromophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl]oxy]-
SpectraBase Compound ID 2ooYF5BgS1r
InChI InChI=1S/C18H13BrO5/c1-10(18(21)22)23-13-6-7-14-15(9-13)24-16(17(14)20)8-11-2-4-12(19)5-3-11/h2-10H,1H3,(H,21,22)/b16-8-
InChIKey NPVAOXSGEDEGJQ-PXNMLYILSA-N
Mol Weight 389.2 g/mol
Molecular Formula C18H13BrO5
Exact Mass 387.994637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc8dhvfSEVS
Name Propanoic acid, 2-[[(2Z)-2-[(4-bromophenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl]oxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.994636514 u
Formula C18H13BrO5
InChI InChI=1S/C18H13BrO5/c1-10(18(21)22)23-13-6-7-14-15(9-13)24-16(17(14)20)8-11-2-4-12(19)5-3-11/h2-10H,1H3,(H,21,22)/b16-8-
InChIKey NPVAOXSGEDEGJQ-PXNMLYILSA-N
Molecular Weight 389.201 g/mol
SMILES OC(C(OC=1C=C2O\C(C(C2=CC1)=O)=C\C1=CC=C(C=C1)Br)C)=O