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1-(10,10-Dimethyl-3,3-dioxo-3.lammda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)oct-6-yne-1-one
SpectraBase Compound ID 96lgkK77bpU
InChI InChI=1S/C18H27NO3S/c1-4-5-6-7-8-9-16(20)19-15-12-14-10-11-18(15,17(14,2)3)13-23(19,21)22/h14-15H,6-13H2,1-3H3/t14-,15?,18-/m1/s1
InChIKey BURAGAGDJJTAGU-KZXIYFNPSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v9kw7kZsYs
Name 1-(10,10-Dimethyl-3,3-dioxo-3.lammda.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)oct-6-yne-1-one
Alternate Name(s) 10,10-dimethyl-4-(6-octynoyl)-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-4-5-6-7-8-9-16(20)19-15-12-14-10-11-18(15,17(14,2)3)13-23(19,21)22/h14-15H,6-13H2,1-3H3/t14-,15?,18-/m1/s1
InChIKey BURAGAGDJJTAGU-KZXIYFNPSA-N
Molecular Weight 337.478 g/mol
SMILES C12N(S(C[C@@]11C([C@@](C2)(CC1)[H])(C)C)(=O)=O)C(=O)CCCCC#CC
SPLASH splash10-0fy5-9310000000-5eecb2c25ee77e566927
Source of Spectrum QE-7-5310-99
Wiley ID 846247