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BCWCAHGJMNMISE-UHFFFAOYSA-N

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BCWCAHGJMNMISE-UHFFFAOYSA-N
SpectraBase Compound ID G0QXt6mMaBl
InChI InChI=1S/C12H15ClN2O5S/c13-5-8-21(19,20)7-2-6-14-12(16)10-3-1-4-11(9-10)15(17)18/h1,3-4,9H,2,5-8H2,(H,14,16)
InChIKey BCWCAHGJMNMISE-UHFFFAOYSA-N
Mol Weight 334.77 g/mol
Molecular Formula C12H15ClN2O5S
Exact Mass 334.03902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjnwlLb9MfP
Name BCWCAHGJMNMISE-UHFFFAOYSA-N
Compound Number 940
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClN2O5S
InChI InChI=1S/C12H15ClN2O5S/c13-5-8-21(19,20)7-2-6-14-12(16)10-3-1-4-11(9-10)15(17)18/h1,3-4,9H,2,5-8H2,(H,14,16)
InChIKey BCWCAHGJMNMISE-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 334.774 g/mol
Sample ID 71
Solvent DMSO-D6