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N-[(R)-[3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-acetamide

View entire compound with spectra: 1 MS (GC)

N-[(R)-[3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-acetamide
SpectraBase Compound ID D3fTZvrfX0L
InChI InChI=1S/C24H33BN2O4/c1-14(28)26-20(15-8-7-9-16(10-15)21-27-22(2,3)13-29-21)25-30-19-12-17-11-18(23(17,4)5)24(19,6)31-25/h7-10,17-20H,11-13H2,1-6H3,(H,26,28)/t17?,18?,19?,20-,24-/m0/s1
InChIKey YVLVCQPDIMCSQP-PFZZOZRWSA-N
Mol Weight 424.3 g/mol
Molecular Formula C24H33BN2O4
Exact Mass 424.253338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y3vtzoVDHF
Name N-[(R)-[3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-((S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-methyl]-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33BN2O4
InChI InChI=1S/C24H33BN2O4/c1-14(28)26-20(15-8-7-9-16(10-15)21-27-22(2,3)13-29-21)25-30-19-12-17-11-18(23(17,4)5)24(19,6)31-25/h7-10,17-20H,11-13H2,1-6H3,(H,26,28)/t17?,18?,19?,20-,24-/m0/s1
InChIKey YVLVCQPDIMCSQP-PFZZOZRWSA-N
Molecular Weight 424.348 g/mol
SMILES N([C@](B1O[C@]2(C3C(C)(C)C(CC2O1)C3)C)(c1cc(C2=NC(C)(C)CO2)ccc1)[H])C(=O)C
SPLASH splash10-05i1-5191200000-a5046277e5e0b4d48ba3
Source of Spectrum C-125-693-10
Synonyms Pinanediol-(1R)-1-(Acetylamino)-3-(4',4'-dimethyl-4',5'-dihydrooxazol-2'-yl)phenyl]-methylboronate
Wiley ID 1701259