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3-[5''-AMINOSPIRO-[CYCLOHEPTANE-1',2''-(2''H)-[1]-BENZOPYRAN-6''-YL]]-PROPEN-2-OIC-ACID
SpectraBase Compound ID CF8FuZ9pni9
InChI InChI=1S/C18H21NO3/c19-17-13(6-8-16(20)21)5-7-15-14(17)9-12-18(22-15)10-3-1-2-4-11-18/h5-9,12H,1-4,10-11,19H2,(H,20,21)/b8-6+
InChIKey BKWFNFBHMSJTQK-SOFGYWHQSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag4cqhLUuFp
Name 3-[5''-AMINOSPIRO-[CYCLOHEPTANE-1',2''-(2''H)-[1]-BENZOPYRAN-6''-YL]]-PROPEN-2-OIC-ACID
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c19-17-13(6-8-16(20)21)5-7-15-14(17)9-12-18(22-15)10-3-1-2-4-11-18/h5-9,12H,1-4,10-11,19H2,(H,20,21)/b8-6+
InChIKey BKWFNFBHMSJTQK-SOFGYWHQSA-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 299.370 g/mol
Solvent DMSO-D6
Source File Reference UWMS21362