7-Acetoxy-4-(4'-methylphenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane

SpectraBase Compound ID	1dCxEnnKWoE
InChI	InChI=1S/C16H17NO4S/c1-7-3-5-9(6-4-7)22(19,20)17-14-10-11-12(10)16(21-8(2)18)13(14)15(11)17/h3-6,10-16H,1-2H3/t10-,11-,12?,13-,14+,15-,16?/m0/s1
InChIKey	BIKVFSKISYQLEQ-XRPJRMLRSA-N Google Search
Mol Weight	319.38 g/mol
Molecular Formula	C16H17NO4S
Exact Mass	319.087829 g/mol

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SpectraBase Spectrum ID	7SROOghOswM
Name	7-Acetoxy-4-(4'-methylphenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
Alternate Name(s)	4-[(4-methylphenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl acetate
CAS Registry Number	136708-53-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H17NO4S
InChI	InChI=1S/C16H17NO4S/c1-7-3-5-9(6-4-7)22(19,20)17-14-10-11-12(10)16(21-8(2)18)13(14)15(11)17/h3-6,10-16H,1-2H3/t10-,11-,12?,13-,14+,15-,16?/m0/s1
InChIKey	BIKVFSKISYQLEQ-XRPJRMLRSA-N
Molecular Weight	319.375 g/mol
SMILES	c1(S(N2[C@@]3([C@]4([C@@]5([C@]2([C@]3(C(OC(=O)C)C45)[H])[H])[H])[H])[H])(=O)=O)ccc(cc1)C
SPLASH	splash10-0006-9521000000-19444c152e8f001a2763
Source of Spectrum	K-124-2890-1
Wiley ID	1319260