4-Oxabicyclo[6.1.1]deca-2,6-diene-3-carboxylic acid, 5-oxo-6-phenyl-, methyl ester

SpectraBase Compound ID	K6d3A2QMPAD
InChI	InChI=1S/C17H16O4/c1-20-17(19)15-10-12-7-11(8-12)9-14(16(18)21-15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3/b14-9-,15-10-/t11-,12-
InChIKey	BFSPTGLBIIGTKJ-SLILKBFKSA-N Google Search
Mol Weight	284.31 g/mol
Molecular Formula	C17H16O4
Exact Mass	284.104859 g/mol

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SpectraBase Spectrum ID	BcINQKbsSrs
Name	4-Oxabicyclo[6.1.1]deca-2,6-diene-3-carboxylic acid, 5-oxo-6-phenyl-, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	284.104858991 u
Formula	C17H16O4
InChI	InChI=1S/C17H16O4/c1-20-17(19)15-10-12-7-11(8-12)9-14(16(18)21-15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3/b14-9-,15-10-/t11-,12-
InChIKey	BFSPTGLBIIGTKJ-SLILKBFKSA-N
SMILES	[C@]12(\C=C\(C(OC)=O)OC(\C(=C/[C@@](C2)(C1)[H])C1=CC=CC=C1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.966218