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4,4-Dimethyl-2-[3-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-phenyl]-4,5-dihydro-oxazole
SpectraBase Compound ID Aeie93HQiG9
InChI InChI=1S/C21H28BNO3/c1-19(2)12-24-18(23-19)13-7-6-8-15(9-13)22-25-17-11-14-10-16(20(14,3)4)21(17,5)26-22/h6-9,14,16-17H,10-12H2,1-5H3/t14?,16?,17?,21-/m0/s1
InChIKey JAMGFVUPMJOFIX-NBPSDPOJSA-N
Mol Weight 353.3 g/mol
Molecular Formula C21H28BNO3
Exact Mass 353.216224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMhpkGDLVNS
Name 4,4-Dimethyl-2-[3-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-phenyl]-4,5-dihydro-oxazole
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Formula C21H28BNO3
InChI InChI=1S/C21H28BNO3/c1-19(2)12-24-18(23-19)13-7-6-8-15(9-13)22-25-17-11-14-10-16(20(14,3)4)21(17,5)26-22/h6-9,14,16-17H,10-12H2,1-5H3/t14?,16?,17?,21-/m0/s1
InChIKey JAMGFVUPMJOFIX-NBPSDPOJSA-N
Molecular Weight 353.269 g/mol
SMILES [C@]12(OB(c3cc(C4=NC(C)(C)CO4)ccc3)OC1CC1CC2C1(C)C)C
SPLASH splash10-0ul9-2539000000-0496be3852cb2b216280
Source of Spectrum C-125-692-7
Synonyms Pinanediol-[(3-(4',4'-dimethyl-4',5'-dihydrooxazol-2'-yl)phenyl]-boronate
Wiley ID 1701262