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7-o-(phenoxythiocarbonyl)-9-o-(tert-butyldimethylsilyl)-heliotridine
SpectraBase Compound ID Lk15il7bF4R
InChI InChI=1S/C21H31NO3SSi/c1-21(2,3)27(4,5)23-15-16-11-13-22-14-12-18(19(16)22)25-20(26)24-17-9-7-6-8-10-17/h6-11,18-19H,12-15H2,1-5H3/t18-,19+/m0/s1
InChIKey GAOGXGKKIODERW-RBUKOAKNSA-N
Mol Weight 405.63 g/mol
Molecular Formula C21H31NO3SSi
Exact Mass 405.179392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImhXQINRJ5n
Name 7-o-(phenoxythiocarbonyl)-9-o-(tert-butyldimethylsilyl)-heliotridine
Alternate Name(s) O-[(1S,7aR)-7-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl]O-phenyl thiocarbonate
CAS Registry Number 126191-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO3SSi
InChI InChI=1S/C21H31NO3SSi/c1-21(2,3)27(4,5)23-15-16-11-13-22-14-12-18(19(16)22)25-20(26)24-17-9-7-6-8-10-17/h6-11,18-19H,12-15H2,1-5H3/t18-,19+/m0/s1
InChIKey GAOGXGKKIODERW-RBUKOAKNSA-N
Molecular Weight 405.628 g/mol
SMILES C(O[C@@]1([C@]2(C(=CCN2CC1)CO[Si](C(C)(C)C)(C)C)[H])[H])(=S)Oc1ccccc1
SPLASH splash10-0kmi-6930000000-12fe1dfd4961cc0f5c4b
Source of Spectrum J-55-3402-5
Wiley ID 1371730