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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]-2-thiophen-2-yl-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]-2-thiophen-2-yl-acetamide
SpectraBase Compound ID xCEilPrCn9
InChI InChI=1S/C28H35BN2O4S/c1-26(2)16-33-25(31-26)18-9-6-8-17(12-18)24(30-23(32)15-20-10-7-11-36-20)29-34-22-14-19-13-21(27(19,3)4)28(22,5)35-29/h6-12,19,21-22,24H,13-16H2,1-5H3,(H,30,32)/t19?,21?,22?,24-,28-/m0/s1
InChIKey TXUPLMFLXIBQTA-NNUHKPKRSA-N
Mol Weight 506.5 g/mol
Molecular Formula C28H35BN2O4S
Exact Mass 506.241059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXAFeMqDNrZ
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]-2-thiophen-2-yl-acetamide
Alternate Name(s) Pinanediol-(1R)-1-(2'''-Thienylacetylamino)-3-(4',4'-dimethyl-4',5'-dihydrooxazol-2'-yl)phenyl]-methylboronate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35BN2O4S
InChI InChI=1S/C28H35BN2O4S/c1-26(2)16-33-25(31-26)18-9-6-8-17(12-18)24(30-23(32)15-20-10-7-11-36-20)29-34-22-14-19-13-21(27(19,3)4)28(22,5)35-29/h6-12,19,21-22,24H,13-16H2,1-5H3,(H,30,32)/t19?,21?,22?,24-,28-/m0/s1
InChIKey TXUPLMFLXIBQTA-NNUHKPKRSA-N
Molecular Weight 506.468 g/mol
SMILES N([C@](B1O[C@]2(C3C(C)(C)C(CC2O1)C3)C)(c1cc(C2=NC(C)(C)CO2)ccc1)[H])C(Cc1sccc1)=O
SPLASH splash10-0ab9-9432350000-8fd272ec32828f742bba
Source of Spectrum C-125-693-11
Wiley ID 1701258