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2-Allyl-6-exo,7-exo-isopropylidenedioxy-2-azabicyclo[3.2.1]octan-3-thione
SpectraBase Compound ID HWzNoK415EJ
InChI InChI=1S/C13H19NO2S/c1-4-5-14-9-6-8(7-10(14)17)11-12(9)16-13(2,3)15-11/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKey BJLIQTGJSXPBAT-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fyRse2DTof
Name 2-Allyl-6-exo,7-exo-isopropylidenedioxy-2-azabicyclo[3.2.1]octan-3-thione
Alternate Name(s) 8-Allyl-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.3.1.0(2,6)]undecane-9-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-4-5-14-9-6-8(7-10(14)17)11-12(9)16-13(2,3)15-11/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKey BJLIQTGJSXPBAT-UHFFFAOYSA-N
Molecular Weight 253.360 g/mol
SMILES C12C3N(C(=S)CC(C2OC(O1)(C)C)C3)CC=C
SPLASH splash10-000i-2190000000-211ac145e16052bf49ca
Source of Spectrum KC-1992-835-17
Wiley ID 776186