2-Benzoyl-1-phenyl-3,4-bis(3',4'-methylenedioxy)phenyl]-cyclopentanol

SpectraBase Compound ID	60c5Sut3B75
InChI	InChI=1S/C32H26O6/c33-31(20-7-3-1-4-8-20)30-29(22-12-14-26-28(16-22)38-19-36-26)24(17-32(30,34)23-9-5-2-6-10-23)21-11-13-25-27(15-21)37-18-35-25/h1-16,24,29-30,34H,17-19H2
InChIKey	SREHQTIXOQWQTK-UHFFFAOYSA-N Google Search
Mol Weight	506.6 g/mol
Molecular Formula	C32H26O6
Exact Mass	506.172939 g/mol

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SpectraBase Spectrum ID	Gaku9iCLPtn
Name	2-Benzoyl-1-phenyl-3,4-bis(3',4'-methylenedioxy)phenyl]-cyclopentanol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	506.172938551 u
Formula	C32H26O6
InChI	InChI=1S/C32H26O6/c33-31(20-7-3-1-4-8-20)30-29(22-12-14-26-28(16-22)38-19-36-26)24(17-32(30,34)23-9-5-2-6-10-23)21-11-13-25-27(15-21)37-18-35-25/h1-16,24,29-30,34H,17-19H2
InChIKey	SREHQTIXOQWQTK-UHFFFAOYSA-N
Molecular Weight	506.554 g/mol
SMILES	C1(C(CC(C1C=1C=C2OCOC2=CC1)C=1C=C2OCOC2=CC1)(C1=CC=CC=C1)O)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.879245