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syn-Trimethyl 3-methyl-8-(2-thienyl)-1,2-diazabicyclo[3.3.0]octane-3,6,6-tricarboxylate
SpectraBase Compound ID XptB3ei9zJ
InChI InChI=1S/C17H22N2O6S/c1-16(13(20)23-2)9-12-17(14(21)24-3,15(22)25-4)8-10(19(12)18-16)11-6-5-7-26-11/h5-7,10,12,18H,8-9H2,1-4H3/t10-,12+,16?/m0/s1
InChIKey UYEPYNXPIKSQLW-FBQUQXAYSA-N
Mol Weight 382.43 g/mol
Molecular Formula C17H22N2O6S
Exact Mass 382.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WDlVNLGENv
Name syn-Trimethyl 3-methyl-8-(2-thienyl)-1,2-diazabicyclo[3.3.0]octane-3,6,6-tricarboxylate
Alternate Name(s) anti-Trimethyl 3-methyl-8-(2-thienyl)-1,2-diazabicyclo[3.3.0]octane-3,6,6-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O6S
InChI InChI=1S/C17H22N2O6S/c1-16(13(20)23-2)9-12-17(14(21)24-3,15(22)25-4)8-10(19(12)18-16)11-6-5-7-26-11/h5-7,10,12,18H,8-9H2,1-4H3/t10-,12+,16?/m0/s1
InChIKey UYEPYNXPIKSQLW-FBQUQXAYSA-N
Molecular Weight 382.431 g/mol
SMILES N1C(C[C@]2(N1[C@@](CC2(C(=O)OC)C(=O)OC)(c1sccc1)[H])[H])(C(=O)OC)C
SPLASH splash10-001i-9522000000-4a52adb0bd54bbcdb56d
Source of Spectrum F-66-9156-5b
Wiley ID 1685041