1,1',2,2',8,8',15,15'-Octamethyl-10,10'-spiro(bis(2,3)metacyclophane-1-ene])

SpectraBase Compound ID	E3Mx6KDVBQf
InChI	InChI=1S/C41H44/c1-25-9-13-33-17-37(25)29(5)30(6)38-18-34(14-10-26(38)2)22-41(21-33)23-35-15-11-27(3)39(19-35)31(7)32(8)40-20-36(24-41)16-12-28(40)4/h9-20H,21-24H2,1-8H3/b30-29-,32-31-
InChIKey	VCPJEQAZQQAZQZ-IOYDOZLVSA-N Google Search
Mol Weight	536.8 g/mol
Molecular Formula	C41H44
Exact Mass	536.344301 g/mol

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SpectraBase Spectrum ID	CaXl0QXNosQ
Name	1,1',2,2',8,8',15,15'-Octamethyl-10,10'-spiro(bis(2,3)metacyclophane-1-ene])
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	536.344301417 u
Formula	C41H44
InChI	InChI=1S/C41H44/c1-25-9-13-33-17-37(25)29(5)30(6)38-18-34(14-10-26(38)2)22-41(21-33)23-35-15-11-27(3)39(19-35)31(7)32(8)40-20-36(24-41)16-12-28(40)4/h9-20H,21-24H2,1-8H3/b30-29-,32-31-
InChIKey	VCPJEQAZQQAZQZ-IOYDOZLVSA-N
Molecular Weight	536.803 g/mol
SMILES	C1=CC=2CC3(CC=4C=CC(=C(C4)\C(C)=C/(C4=CC(C3)=CC=C4C)C)C)CC3=CC=C(C(\C(=C/(C(=C1C)C2)C)C)=C3)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.815272