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2',3',6',7'-Tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris[(E)-(4-methoxyphenyl)methylen]-spiro[cyclopentan-1,5'(4'H)inden]
SpectraBase Compound ID Ek3z9sCr05u
InChI InChI=1S/C44H44O4/c1-45-37-16-5-30(6-17-37)27-34-13-24-42-41(34)25-26-44(43(42)33-11-22-40(48-4)23-12-33)35(28-31-7-18-38(46-2)19-8-31)14-15-36(44)29-32-9-20-39(47-3)21-10-32/h5-12,16-23,27-29,43H,13-15,24-26H2,1-4H3/b34-27+,35-28+,36-29+
InChIKey ZRBRRSBCPWKGBO-PJBKFWITSA-N
Mol Weight 636.8 g/mol
Molecular Formula C44H44O4
Exact Mass 636.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Xa552DHgu
Name 2',3',6',7'-Tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris[(E)-(4-methoxyphenyl)methylen]-spiro[cyclopentan-1,5'(4'H)inden]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H44O4
InChI InChI=1S/C44H44O4/c1-45-37-16-5-30(6-17-37)27-34-13-24-42-41(34)25-26-44(43(42)33-11-22-40(48-4)23-12-33)35(28-31-7-18-38(46-2)19-8-31)14-15-36(44)29-32-9-20-39(47-3)21-10-32/h5-12,16-23,27-29,43H,13-15,24-26H2,1-4H3/b34-27+,35-28+,36-29+
InChIKey ZRBRRSBCPWKGBO-PJBKFWITSA-N
Literature Reference DOI 10.1002/cber.19881211210
Molecular Weight 636.832 g/mol
SMILES C1(C2(CCC3=C1CC\C3=C\c1ccc(cc1)OC)\C(CC\C2=C\c1ccc(cc1)OC)=C\c1ccc(cc1)OC)c1ccc(cc1)OC
SPLASH splash10-00y1-0934001000-b85d20f67a5900312843
Source of Spectrum K-121-2131-5r
Synonyms 1',2,5-tris((E)-4-methoxybenzylidene)-4'-(4-methoxyphenyl)-1',2',3',4',6',7'-hexahydrospiro[cyclopentane-1,5'-indene]
Wiley ID 1792995