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Methyl (1'R,1S,2R,5S)-5-[(4-methoxyphenyl)methyl]-2-{1'-[4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]ethylamino]{cyclohexanepropionate

View entire compound with spectra: 1 MS (GC)

Methyl (1'R,1S,2R,5S)-5-[(4-methoxyphenyl)methyl]-2-{1'-[4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]ethylamino]{cyclohexanepropionate
SpectraBase Compound ID EwOaZbrbpha
InChI InChI=1S/C28H34F3N3O3/c1-18(21-5-4-6-23(17-21)27(33-34-27)28(29,30)31)32-25-13-9-20(16-22(25)10-14-26(35)37-3)15-19-7-11-24(36-2)12-8-19/h4-8,11-12,17-18,20,22,25,32H,9-10,13-16H2,1-3H3/t18-,20?,22+,25-/m1/s1
InChIKey ZEYKQMYQYASJEC-AVLFNBPISA-N
Mol Weight 517.6 g/mol
Molecular Formula C28H34F3N3O3
Exact Mass 517.255226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y5vhqhYzLk
Name Methyl (1'R,1S,2R,5S)-5-[(4-methoxyphenyl)methyl]-2-{1'-[4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]ethylamino]{cyclohexanepropionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34F3N3O3
InChI InChI=1S/C28H34F3N3O3/c1-18(21-5-4-6-23(17-21)27(33-34-27)28(29,30)31)32-25-13-9-20(16-22(25)10-14-26(35)37-3)15-19-7-11-24(36-2)12-8-19/h4-8,11-12,17-18,20,22,25,32H,9-10,13-16H2,1-3H3/t18-,20?,22+,25-/m1/s1
InChIKey ZEYKQMYQYASJEC-AVLFNBPISA-N
Molecular Weight 517.593 g/mol
SMILES N([C@@](c1cc(C2(N=N2)C(F)(F)F)ccc1)(C)[H])[C@]1([C@](CC(CC1)Cc1ccc(cc1)OC)(CCC(=O)OC)[H])[H]
SPLASH splash10-00di-0920200000-74b1eda24112a7a26a31
Source of Spectrum KC-61-11249-13
Wiley ID 1631308