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Methyl trans-3,4-diphenyl-1-(4-carbomethoxybutyl)-cyclopentanecarboxylate
SpectraBase Compound ID 8LMv1ziBg4R
InChI InChI=1S/C25H30O4/c1-28-23(26)15-9-10-16-25(24(27)29-2)17-21(19-11-5-3-6-12-19)22(18-25)20-13-7-4-8-14-20/h3-8,11-14,21-22H,9-10,15-18H2,1-2H3/t21-,22-/m1/s1
InChIKey FTHUPDRCZJMEHS-FGZHOGPDSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7rsadjlSxy
Name Methyl trans-3,4-diphenyl-1-(4-carbomethoxybutyl)-cyclopentanecarboxylate
Alternate Name(s) Methyl (3S,4S)-1-(5-methoxy-5-oxopentyl)-3,4-diphenylcyclopentanecarboxylate
CAS Registry Number 125250-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-28-23(26)15-9-10-16-25(24(27)29-2)17-21(19-11-5-3-6-12-19)22(18-25)20-13-7-4-8-14-20/h3-8,11-14,21-22H,9-10,15-18H2,1-2H3/t21-,22-/m1/s1
InChIKey FTHUPDRCZJMEHS-FGZHOGPDSA-N
Molecular Weight 394.511 g/mol
SMILES C1(C[C@](c2ccccc2)([C@](C1)(c1ccccc1)[H])[H])(C(=O)OC)CCCCC(=O)OC
SPLASH splash10-017l-3795000000-634e6370b2fc4f72ffa6
Source of Spectrum J-55-2054-54
Wiley ID 1366804