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N-[(5R)-10,10-Dimethyl-3,3-dioxo-3.lanta.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-(2RS)-2-bromopropionamide
SpectraBase Compound ID 4m3Ie1fs9Qu
InChI InChI=1S/C13H20BrNO3S/c1-8(14)11(16)15-10-6-9-4-5-13(10,12(9,2)3)7-19(15,17)18/h8-10H,4-7H2,1-3H3/t8?,9-,10-,13-/m0/s1
InChIKey AXBASCJFVFRIAL-CRNWHOSHSA-N
Mol Weight 350.27 g/mol
Molecular Formula C13H20BrNO3S
Exact Mass 349.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H91q9Anrch3
Name N-[(5R)-10,10-Dimethyl-3,3-dioxo-3.lanta.(6)-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-(2RS)-2-bromopropionamide
Alternate Name(s) 4-(2-bromopropanoyl)-10,10-dimethyl-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 C13H20BrNO3S
InChI InChI=1S/C13H20BrNO3S/c1-8(14)11(16)15-10-6-9-4-5-13(10,12(9,2)3)7-19(15,17)18/h8-10H,4-7H2,1-3H3/t8?,9-,10-,13-/m0/s1
InChIKey AXBASCJFVFRIAL-CRNWHOSHSA-N
Molecular Weight 350.271 g/mol
SMILES [C@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(=O)C(Br)C)[H]
SPLASH splash10-0a59-9620000000-b28331be2dba011f0389
Source of Spectrum F-53-12958-21
Wiley ID 803775