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3-AZIDO-2-CYANO-3-[(2-METHYLALLYL)-AMINO]-ACRYLIC-ACID,METHYLESTER
SpectraBase Compound ID FdIdSqRhhHh
InChI InChI=1S/C9H11N5O2/c1-6(2)5-12-8(13-14-11)7(4-10)9(15)16-3/h12H,1,5H2,2-3H3/b8-7-
InChIKey PSJNLAZVBGNMNT-FPLPWBNLSA-N
Mol Weight 221.22 g/mol
Molecular Formula C9H11N5O2
Exact Mass 221.091275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RDmXgqxehp
Name 3-AZIDO-2-CYANO-3-[(2-METHYLALLYL)-AMINO]-ACRYLIC-ACID,METHYLESTER
CAS Registry Number 122761-16-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11N5O2
InChI InChI=1S/C9H11N5O2/c1-6(2)5-12-8(13-14-11)7(4-10)9(15)16-3/h12H,1,5H2,2-3H3/b8-7-
InChIKey PSJNLAZVBGNMNT-FPLPWBNLSA-N
Literature Reference Author R.W.SAALFRANK,E.ACKERMANN,M.FISCHER,U.WIRTH,H.ZIMMERMANN
Literature Reference Citation CHEM.BER.,123,115(1990)
Literature Reference DOI 10.1002/cber.19901230123
Molecular Weight 221.219 g/mol
Solvent CDCl3
Source File Reference UWED12044