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(cis-1,2-Diphenyl-2-pyrrolidinocyclopropyl)phenylacetic acid-methylester
SpectraBase Compound ID IQEwQ8i4t1E
InChI InChI=1S/C28H29NO2/c1-31-26(30)25(22-13-5-2-6-14-22)27(23-15-7-3-8-16-23)21-28(27,29-19-11-12-20-29)24-17-9-4-10-18-24/h2-10,13-18,25H,11-12,19-21H2,1H3/t25?,27-,28-/m1/s1
InChIKey NAUKNLPPKWGIBN-JNRHCMNMSA-N
Mol Weight 411.55 g/mol
Molecular Formula C28H29NO2
Exact Mass 411.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AofO0AlaMR
Name (cis-1,2-Diphenyl-2-pyrrolidinocyclopropyl)phenylacetic acid-methylester
Alternate Name(s) Methyl 2-((1S,2R)-1,2-diphenyl-2-(pyrrolidin-1-yl)cyclopropyl)-2-phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO2
InChI InChI=1S/C28H29NO2/c1-31-26(30)25(22-13-5-2-6-14-22)27(23-15-7-3-8-16-23)21-28(27,29-19-11-12-20-29)24-17-9-4-10-18-24/h2-10,13-18,25H,11-12,19-21H2,1H3/t25?,27-,28-/m1/s1
InChIKey NAUKNLPPKWGIBN-JNRHCMNMSA-N
Literature Reference DOI 10.1002/cber.19741070707
Molecular Weight 411.545 g/mol
SMILES C1[C@@]([C@]1(N1CCCC1)c1ccccc1)(c1ccccc1)C(C(OC)=O)c1ccccc1
SPLASH splash10-00di-0901000000-145160da01a061f09cf0
Source of Spectrum K-107-2210-23a
Wiley ID 1793682