Debug Info

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EsI4BaWF3n5
spectrumID
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EsI4BaWF3n5
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Mass Spectrum (GC)
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1-Methyl-5-(tert-butyldimethylsiloxy)-9-[3-(t-butyloxycarbonylmethylthio)prop-2-yl]bicyclo[4.3.0]nonane
SpectraBase Compound ID 3N3iZdGt5zZ
InChI InChI=1S/C25H48O3SSi/c1-18(16-29-17-22(26)27-23(2,3)4)19-13-14-20-21(12-11-15-25(19,20)8)28-30(9,10)24(5,6)7/h18-21H,11-17H2,1-10H3
InChIKey ZVAAPEYIWYEKEO-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C25H48O3SSi
Exact Mass 456.309343 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsI4BaWF3n5
Name 1-Methyl-5-(tert-butyldimethylsiloxy)-9-[3-(t-butyloxycarbonylmethylthio)prop-2-yl]bicyclo[4.3.0]nonane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O3SSi
InChI InChI=1S/C25H48O3SSi/c1-18(16-29-17-22(26)27-23(2,3)4)19-13-14-20-21(12-11-15-25(19,20)8)28-30(9,10)24(5,6)7/h18-21H,11-17H2,1-10H3
InChIKey ZVAAPEYIWYEKEO-UHFFFAOYSA-N
Molecular Weight 456.801 g/mol
SMILES C12(CCCC(C2CCC1C(C)CSCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C
SPLASH splash10-00or-0964500000-31ebac01893bcefffa38
Source of Spectrum Y1-44-6072-22
Synonyms tert-Butyl {[2-(4-{[tert-butyl(dimethyl)silyl]oxy}-7a-methyloctahydro-1H-inden-1-yl)propyl]sulfanyl}acetate
Wiley ID 1621662
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