3-(Triphenylmethyl)spiro[4,5]dec-3-en-2,8-dione

SpectraBase Compound ID	DIjV3PVmToM
InChI	InChI=1S/C29H26O2/c30-25-16-18-28(19-17-25)20-26(27(31)21-28)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20H,16-19,21H2
InChIKey	VGSLNEUCWSSTCW-UHFFFAOYSA-N Google Search
Mol Weight	406.53 g/mol
Molecular Formula	C29H26O2
Exact Mass	406.19328 g/mol

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SpectraBase Spectrum ID	8FP4mgPG3MU
Name	3-(Triphenylmethyl)spiro[4,5]dec-3-en-2,8-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.193280075 u
Formula	C29H26O2
InChI	InChI=1S/C29H26O2/c30-25-16-18-28(19-17-25)20-26(27(31)21-28)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20H,16-19,21H2
InChIKey	VGSLNEUCWSSTCW-UHFFFAOYSA-N
Molecular Weight	406.525 g/mol
SMILES	C1C(C(=CC11CCC(CC1)=O)C(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.907445