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N-[-10,10-Dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-methoxycarbonyl-3-methylbutyramide isomer
SpectraBase Compound ID 4CEf5RerZoF
InChI InChI=1S/C17H27NO5S/c1-10(2)13(15(20)23-5)14(19)18-12-8-11-6-7-17(12,16(11,3)4)9-24(18,21)22/h10-13H,6-9H2,1-5H3/t11-,12+,13?,17-/m1/s1
InChIKey BHIRXSNEZAJYSX-JAECXMTMSA-N
Mol Weight 357.47 g/mol
Molecular Formula C17H27NO5S
Exact Mass 357.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSzxXcgYk3b
Name N-[-10,10-Dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-methoxycarbonyl-3-methylbutyramide isomer
Alternate Name(s) Methyl 2-[(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)carbonyl]-3-methylbutanoate N-[(5R)-10,10-Dimethyl-3,3-dioxo-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-methoxycarbonyl-3-methylbutyramide isomer
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Formula C17H27NO5S
InChI InChI=1S/C17H27NO5S/c1-10(2)13(15(20)23-5)14(19)18-12-8-11-6-7-17(12,16(11,3)4)9-24(18,21)22/h10-13H,6-9H2,1-5H3/t11-,12+,13?,17-/m1/s1
InChIKey BHIRXSNEZAJYSX-JAECXMTMSA-N
Molecular Weight 357.465 g/mol
SMILES C(N1S(C[C@]23C([C@@](C[C@]13[H])(CC2)[H])(C)C)(=O)=O)(C(C(=O)OC)C(C)C)=O
SPLASH splash10-052f-6900000000-2a08de4719538da02a65
Source of Spectrum F-69-494-2
Wiley ID 1594500