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2-(2-CHLOROETHYL)-CARBAMATO-2,3-DIHYDRO-5-PROPOXY-1H-1,3,2-BENZODIAZAPHOSPHOLE-2-OXIDE
SpectraBase Compound ID 4LfbwlT7Ogb
InChI InChI=1S/C12H17ClN3O4P/c1-2-6-19-9-3-4-10-11(8-9)15-21(18,14-10)16-12(17)20-7-5-13/h3-4,8H,2,5-7H2,1H3,(H3,14,15,16,17,18)
InChIKey KVHDUPJERYQHRL-UHFFFAOYSA-N
Mol Weight 333.71 g/mol
Molecular Formula C12H17ClN3O4P
Exact Mass 333.064521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLlUr3PfYQS
Name 2-(2-CHLOROETHYL)-CARBAMATO-2,3-DIHYDRO-5-PROPOXY-1H-1,3,2-BENZODIAZAPHOSPHOLE-2-OXIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClN3O4P
InChI InChI=1S/C12H17ClN3O4P/c1-2-6-19-9-3-4-10-11(8-9)15-21(18,14-10)16-12(17)20-7-5-13/h3-4,8H,2,5-7H2,1H3,(H3,14,15,16,17,18)
InChIKey KVHDUPJERYQHRL-UHFFFAOYSA-N
Literature Reference Author M.VENUGOPAL,B.S.REDDY,C.D.REDDY,K.D.BERLIN
Literature Reference Citation J.HETCYCL.CHEM.,38,275(2001)
Literature Reference DOI 10.1002/jhet.5570380141
Molecular Weight 333.711 g/mol
Solvent DMSO-D6
Source File Reference UWSI21003