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3-[5''-NITROSPIRO-[TRICYCLO-[3,3,1,1(3,7)]-DECANE-2',2''-(2''H)-[1]-BENZOPYRAN-6''-YL]]-PROPEN-2-OIC-ACID
SpectraBase Compound ID FDYvlGUDUJa
InChI InChI=1S/C21H21NO5/c23-19(24)4-2-14-1-3-18-17(20(14)22(25)26)5-6-21(27-18)15-8-12-7-13(10-15)11-16(21)9-12/h1-6,12-13,15-16H,7-11H2,(H,23,24)/b4-2+/t12-,13+,15-,16+,21-
InChIKey HKWDPWMHPPMYKZ-LXYKJRKWSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ay04XkgKW3F
Name 3-[5''-NITROSPIRO-[TRICYCLO-[3,3,1,1(3,7)]-DECANE-2',2''-(2''H)-[1]-BENZOPYRAN-6''-YL]]-PROPEN-2-OIC-ACID
Compound Number 18D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c23-19(24)4-2-14-1-3-18-17(20(14)22(25)26)5-6-21(27-18)15-8-12-7-13(10-15)11-16(21)9-12/h1-6,12-13,15-16H,7-11H2,(H,23,24)/b4-2+/t12-,13+,15-,16+,21-
InChIKey HKWDPWMHPPMYKZ-LXYKJRKWSA-N
Literature Reference Author V.PANTELEON,P.MARAKOS,N.POULI,E.MIKROS,I.ANDREADOU
Literature Reference Citation CHEM.PHARM.BULL.,51,522(2003)
Literature Reference DOI 10.1248/cpb.51.522
Molecular Weight 367.401 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMS21359