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6-N-((4S,5S)-2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)-5H-dibenz[c,e]azepine
SpectraBase Compound ID 6FkbNUBynoM
InChI InChI=1S/C26H27NO2/c1-26(2)28-18-24(25(29-26)19-10-4-3-5-11-19)27-16-20-12-6-8-14-22(20)23-15-9-7-13-21(23)17-27/h3-15,24-25H,16-18H2,1-2H3/t24-,25-/m0/s1
InChIKey BYLWRHFYWYDGMH-DQEYMECFSA-N
Mol Weight 385.51 g/mol
Molecular Formula C26H27NO2
Exact Mass 385.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3j99vwSQw4
Name 6-N-((4S,5S)-2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)-5H-dibenz[c,e]azepine
Alternate Name(s) 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-6,7-dihydro-5H-dibenzo[c,e]azepine
Comments Less than 3 mono-isotopic peaks
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Formula C26H27NO2
InChI InChI=1S/C26H27NO2/c1-26(2)28-18-24(25(29-26)19-10-4-3-5-11-19)27-16-20-12-6-8-14-22(20)23-15-9-7-13-21(23)17-27/h3-15,24-25H,16-18H2,1-2H3/t24-,25-/m0/s1
InChIKey BYLWRHFYWYDGMH-DQEYMECFSA-N
Molecular Weight 385.507 g/mol
SMILES [C@]1(N2Cc3c(cccc3)-c3c(C2)cccc3)([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-004i-0900000000-5ecdb9dd345d409e72ac
Source of Spectrum F-70-5910-11
Wiley ID 1597232