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9,10-dihydro-8-(1-pyrrolidinyl)benzocyclooctene-6,7-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID FfW6tq1EHeG
InChI InChI=1S/C20H23NO4/c1-24-19(22)16-13-15-8-4-3-7-14(15)9-10-17(18(16)20(23)25-2)21-11-5-6-12-21/h3-4,7-8,13H,5-6,9-12H2,1-2H3/b16-13+,18-17-
InChIKey DBQLDMUIQNYDCS-XJQDBPQSSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ld0UIUvWVR2
Name 9,10-DIHYDRO-8-(1-PYRROLIDINYL)BENZOCYCLOOCTENE-6,7-DICARBOXYLIC ACID, DIMETHYLESTER
Source of Sample D. N. Reinhoudt, Twente University of Technology, Enschede, the Netherlands
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-24-19(22)16-13-15-8-4-3-7-14(15)9-10-17(18(16)20(23)25-2)21-11-5-6-12-21/h3-4,7-8,13H,5-6,9-12H2,1-2H3/b16-13+,18-17-
InChIKey DBQLDMUIQNYDCS-XJQDBPQSSA-N
Melting Point 148-149C
Molecular Weight 341.41
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOCYCLOOCTENE-6,7-DICARBOXYLIC ACID, 9,10-DIHYDRO-8-/1-PYRROLIDINYL/-, DIMETHYL ESTER