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(3S,5S)-3,5-Dihydro-3,5-dimethyl-4H-dinaphth[2,1-c:1',2'-e]azepine (S)-MTPA-Amide
SpectraBase Compound ID GkKcx7K5DjE
InChI InChI=1S/C34H28F3NO2/c1-21-26-19-17-23-11-7-9-15-28(23)30(26)31-27(20-18-24-12-8-10-16-29(24)31)22(2)38(21)32(39)33(40-3,34(35,36)37)25-13-5-4-6-14-25/h4-22H,1-3H3/t21-,22-,33-/m0/s1
InChIKey CUWHCBHZNKMOLQ-RACYCIBVSA-N
Mol Weight 539.6 g/mol
Molecular Formula C34H28F3NO2
Exact Mass 539.207214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bm4hfAzdZ7j
Name (3S,5S)-3,5-Dihydro-3,5-dimethyl-4H-dinaphth[2,1-c:1',2'-e]azepine (S)-MTPA-Amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28F3NO2
InChI InChI=1S/C34H28F3NO2/c1-21-26-19-17-23-11-7-9-15-28(23)30(26)31-27(20-18-24-12-8-10-16-29(24)31)22(2)38(21)32(39)33(40-3,34(35,36)37)25-13-5-4-6-14-25/h4-22H,1-3H3/t21-,22-,33-/m0/s1
InChIKey CUWHCBHZNKMOLQ-RACYCIBVSA-N
Molecular Weight 539.598 g/mol
SMILES C(N1[C@](c2c(c3ccccc3cc2)-c2c([C@@]1(C)[H])ccc1ccccc21)(C)[H])([C@](C(F)(F)F)(c1ccccc1)OC)=O
SPLASH splash10-05o9-0295050000-c85f5b29d69422dbd5d1
Source of Spectrum J-61-8494-15
Synonyms (1S)-1-{[(1S,3S)-1,3-dimethyl-1,3-dihydro-2H-dinaphtho[2,1-c:1,2-e]azepin-2-yl]carbonyl}-2,2,2-trifluoro-1-phenylethyl methyl ether (1S,3S)-1,3-dimethyl-2-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-2,3-dihydro-1H-dinaphtho[2,1-c:1,2-e]azepine
Wiley ID 1404494