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2-{3-[(S)-Chloro-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-phenyl}-4,4-dimethyl-4,5-dihydro-oxazole

View entire compound with spectra: 1 MS (GC)

2-{3-[(S)-Chloro-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-phenyl}-4,4-dimethyl-4,5-dihydro-oxazole
SpectraBase Compound ID L39o6cEq4QP
InChI InChI=1S/C22H29BClNO3/c1-20(2)12-26-19(25-20)14-8-6-7-13(9-14)18(24)23-27-17-11-15-10-16(21(15,3)4)22(17,5)28-23/h6-9,15-18H,10-12H2,1-5H3/t15?,16?,17?,18-,22+/m1/s1
InChIKey TYACSUXOXUGAKJ-SPXIYTABSA-N
Mol Weight 401.7 g/mol
Molecular Formula C22H29BClNO3
Exact Mass 401.192902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43zpsIZLKnu
Name 2-{3-[(S)-Chloro-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-phenyl}-4,4-dimethyl-4,5-dihydro-oxazole
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Formula C22H29BClNO3
InChI InChI=1S/C22H29BClNO3/c1-20(2)12-26-19(25-20)14-8-6-7-13(9-14)18(24)23-27-17-11-15-10-16(21(15,3)4)22(17,5)28-23/h6-9,15-18H,10-12H2,1-5H3/t15?,16?,17?,18-,22+/m1/s1
InChIKey TYACSUXOXUGAKJ-SPXIYTABSA-N
Molecular Weight 401.741 g/mol
SMILES [C@]12(OB(OC1CC1C(C2C1)(C)C)[C@@](c1cc(C2=NC(C)(C)CO2)ccc1)(Cl)[H])C
SPLASH splash10-0fe0-5595200000-0a8942bbd5efed84cfc1
Source of Spectrum C-125-693-8
Synonyms Pinanediol-(1S)-1-Chloro-1-[3'-(4'',4''-dimethyl-4'',5''-dihydrooxazol-2''-yl)phenyl]-methylboronate
Wiley ID 1701261