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Methyl O-cinnamoylmandelate cyclic hydrodimer

View entire compound with spectra: 1 MS (GC)

Methyl O-cinnamoylmandelate cyclic hydrodimer
SpectraBase Compound ID 2e7RQA1AHPO
InChI InChI=1S/C27H24O5/c1-31-27(30)25(20-15-9-4-10-16-20)32-26(29)24-22(28)17-21(18-11-5-2-6-12-18)23(24)19-13-7-3-8-14-19/h2-16,21,23-25H,17H2,1H3/t21-,23-,24-,25?/m1/s1
InChIKey XKUXBASBNLWKLZ-SVMFFSQGSA-N
Mol Weight 428.48 g/mol
Molecular Formula C27H24O5
Exact Mass 428.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UXisWQ5QG
Name Methyl O-cinnamoylmandelate cyclic hydrodimer
Alternate Name(s) 2-Methoxy-2-oxo-1-phenylethyl (1S,2R,3S)-5-oxo-2,3-diphenylcyclopentanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O5
InChI InChI=1S/C27H24O5/c1-31-27(30)25(20-15-9-4-10-16-20)32-26(29)24-22(28)17-21(18-11-5-2-6-12-18)23(24)19-13-7-3-8-14-19/h2-16,21,23-25H,17H2,1H3/t21-,23-,24-,25?/m1/s1
InChIKey XKUXBASBNLWKLZ-SVMFFSQGSA-N
Molecular Weight 428.484 g/mol
SMILES [C@@]1(C(OC(C(=O)OC)c2ccccc2)=O)([C@@]([C@@](c2ccccc2)(CC1=O)[H])(c1ccccc1)[H])[H]
SPLASH splash10-0pdi-2900000000-9c9ef31d279974b1db74
Source of Spectrum KC-0-1968-6
Wiley ID 784135