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(7Z,9Z,11E)-(2S,4R,5R,6S)-5-Methyl-2,4-diphenyl-4,4a,5,6-tetrahydro-1,3-dioxa-6-aza-2-bora-benzocyclononene
SpectraBase Compound ID 9o1JzkKdoq0
InChI InChI=1S/C22H22BNO2/c1-17-21-20(15-9-4-10-16-24-17)25-23(19-13-7-3-8-14-19)26-22(21)18-11-5-2-6-12-18/h2-17,21-22,24H,1H3/b9-4-,16-10-,20-15+/t17-,21?,22+/m1/s1
InChIKey NVSMUIKOYOMYOT-LAUCBRMASA-N
Mol Weight 343.2 g/mol
Molecular Formula C22H22BNO2
Exact Mass 343.174359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EqkQjjNS1o
Name (7Z,9Z,11E)-(2S,4R,5R,6S)-5-Methyl-2,4-diphenyl-4,4a,5,6-tetrahydro-1,3-dioxa-6-aza-2-bora-benzocyclononene
Alternate Name(s) (2S,4S,5R,6S)-2,4-Diphenyl-5-methyl-6-aza-1,3-dioxa-2-borabenzo-cyclononene (4R,5R)-5-methyl-2,4-diphenyl-4,4a,5,6-tetrahydro[1,3,2]dioxaborino[5,4-c]azonine
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Formula C22H22BNO2
InChI InChI=1S/C22H22BNO2/c1-17-21-20(15-9-4-10-16-24-17)25-23(19-13-7-3-8-14-19)26-22(21)18-11-5-2-6-12-18/h2-17,21-22,24H,1H3/b9-4-,16-10-,20-15+/t17-,21?,22+/m1/s1
InChIKey NVSMUIKOYOMYOT-LAUCBRMASA-N
Molecular Weight 343.233 g/mol
SMILES [C@@]1(OB(O\C=2C1[C@](N\C=C/C=C\C/2)(C)[H])c1ccccc1)(c1ccccc1)[H]
SPLASH splash10-014i-0390000000-88726dd269025a5ee655
Source of Spectrum I-80-810-6
Wiley ID 1517193