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2',3',6',7'-Tetrahydro-4'-(4-methylphenyl)-1',2,5-tris[(E)-(4-methylphenyl)methylen]-spiro[cyclopentan-1,5'(4'H)inden]
SpectraBase Compound ID Ld67wr4KYUW
InChI InChI=1S/C44H44/c1-30-5-13-34(14-6-30)27-38-21-24-42-41(38)25-26-44(43(42)37-19-11-33(4)12-20-37)39(28-35-15-7-31(2)8-16-35)22-23-40(44)29-36-17-9-32(3)10-18-36/h5-20,27-29,43H,21-26H2,1-4H3/b38-27+,39-28+,40-29+
InChIKey KLRBFXJTWKICEK-OTPPMUOLSA-N
Mol Weight 572.8 g/mol
Molecular Formula C44H44
Exact Mass 572.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKJg8gSGS2R
Name 2',3',6',7'-Tetrahydro-4'-(4-methylphenyl)-1',2,5-tris[(E)-(4-methylphenyl)methylen]-spiro[cyclopentan-1,5'(4'H)inden]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H44
InChI InChI=1S/C44H44/c1-30-5-13-34(14-6-30)27-38-21-24-42-41(38)25-26-44(43(42)37-19-11-33(4)12-20-37)39(28-35-15-7-31(2)8-16-35)22-23-40(44)29-36-17-9-32(3)10-18-36/h5-20,27-29,43H,21-26H2,1-4H3/b38-27+,39-28+,40-29+
InChIKey KLRBFXJTWKICEK-OTPPMUOLSA-N
Literature Reference DOI 10.1002/cber.19881211210
Molecular Weight 572.836 g/mol
SMILES C1(C2(CCC3=C1CC\C3=C\c1ccc(cc1)C)\C(CC\C2=C\c1ccc(cc1)C)=C\c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-0fk9-0931010000-c2da2d1de0217bbf804b
Source of Spectrum K-121-2131-5q
Synonyms 1',2,5-tris((E)-4-methylbenzylidene)-4'-(p-tolyl)-1',2',3',4',6',7'-hexahydrospiro[cyclopentane-1,5'-indene]
Wiley ID 1792994