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2',3',6',7'-tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris[(E)-(4-methoxyphenyl)methylene]spiro[cyclopentane-1,5'(4'H)-indene]

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2',3',6',7'-tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris[(E)-(4-methoxyphenyl)methylene]spiro[cyclopentane-1,5'(4'H)-indene]
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GiKTA3Axn71
Name 2',3',6',7'-Tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris[(E)-(4-methoxyphenyl)methylene]spiro[cyclopentane-1,5'(4'H)-indene]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 636.323959893 u
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
Molecular Weight 636.832 g/mol
SMILES C12=C(\C(=C\C3=CC=C(C=C3)OC)CC1)CCC1(C2C=2C=CC(=CC2)OC)\C(=C\C2=CC=C(C=C2)OC)CC\C1=C\C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820454