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(1R,13S,15S)-15-{[tert-butyl(dimethyl)silyl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0(2,10).0(4,8).0(13,18)]nonadeca-2(10),3,8-trien-16-one

View entire compound with spectra: 1 MS (GC)

(1R,13S,15S)-15-{[tert-butyl(dimethyl)silyl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0(2,10).0(4,8).0(13,18)]nonadeca-2(10),3,8-trien-16-one
SpectraBase Compound ID 8eNwyra8XUs
InChI InChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-19-9-17-15(7-18(19)24)16-11-23(17)10-13-6-20-21(8-14(13)16)26-12-25-20/h6,8,15-17,19H,7,9-12H2,1-5H3/t15?,16-,17-,19-/m0/s1
InChIKey VRLXOJKTUWQIAQ-KNJHKHFFSA-N
Mol Weight 401.58 g/mol
Molecular Formula C22H31NO4Si
Exact Mass 401.202235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tXaQiC3hDb
Name (1R,13S,15S)-15-{[tert-butyl(dimethyl)silyl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0(2,10).0(4,8).0(13,18)]nonadeca-2(10),3,8-trien-16-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4Si
InChI InChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-19-9-17-15(7-18(19)24)16-11-23(17)10-13-6-20-21(8-14(13)16)26-12-25-20/h6,8,15-17,19H,7,9-12H2,1-5H3/t15?,16-,17-,19-/m0/s1
InChIKey VRLXOJKTUWQIAQ-KNJHKHFFSA-N
Molecular Weight 401.578 g/mol
SMILES [C@@]12(N3C[C@](C2CC([C@](C1)(O[Si](C(C)(C)C)(C)C)[H])=O)(c1c(C3)cc2c(OCO2)c1)[H])[H]
SPLASH splash10-0006-0009000000-fa49cff371330da92af0
Source of Spectrum C-119-5783-65
Synonyms (3R,4S,6S,10R) 6-(tert-butyl-dimethyl-siloxy)-13,14-(methylenedioxy)-3,10-methano-3-azatricyclo[9.4.0.0(4,9)]pentatetraene-7-one 6-(tert-butyldimethylsiloxy)-13,14-(methylenedioxy)-3,10-methano-3-azatricyclo[9.4.0.0(4,9)]pentatetraene-7-one
Wiley ID 760284