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2-Bromo-1-(10,10-dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-hexan-1-one

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2-Bromo-1-(10,10-dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-hexan-1-one
SpectraBase Compound ID 13A8zrnEyzS
InChI InChI=1S/C16H26BrNO3S/c1-4-5-6-12(17)14(19)18-13-9-11-7-8-16(13,15(11,2)3)10-22(18,20)21/h11-13H,4-10H2,1-3H3/t11-,12?,13+,16-/m1/s1
InChIKey YXFQSGUJSCHKSZ-HCYBMXRASA-N
Mol Weight 392.35 g/mol
Molecular Formula C16H26BrNO3S
Exact Mass 391.081678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUJTHnBGLm2
Name 2-Bromo-1-(10,10-dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*1,5*]dec-4-yl)-hexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.081677872 u
Formula C16H26BrNO3S
InChI InChI=1S/C16H26BrNO3S/c1-4-5-6-12(17)14(19)18-13-9-11-7-8-16(13,15(11,2)3)10-22(18,20)21/h11-13H,4-10H2,1-3H3/t11-,12?,13+,16-/m1/s1
InChIKey YXFQSGUJSCHKSZ-HCYBMXRASA-N
Molecular Weight 392.352 g/mol
SMILES [C@]12(N(S(C[C@@]11C([C@@](C2)(CC1)[H])(C)C)(=O)=O)C(=O)C(Br)CCCC)[H]