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(6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

View entire compound with spectra: 1 NMR

(6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID KH4aI06hhmy
InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/p-1/t9-,12-/m1/s1
InChIKey MLYYVTUWGNIJIB-BXKDBHETSA-M
Mol Weight 453.49 g/mol
Molecular Formula C14H13N8O4S3
Exact Mass 453.022189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjEiE0WvqDv
Name (6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13N8O4S3
InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/p-1/t9-,12-/m1/s1
InChIKey MLYYVTUWGNIJIB-BXKDBHETSA-M
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 453.488 g/mol
Source File Reference MHKO2861