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4-((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropan]-2(3H)-yl)benzoic acid
SpectraBase Compound ID L9gXFO8YFVj
InChI InChI=1S/C18H15NO4/c20-15-13-11-5-6-12(18(11)7-8-18)14(13)16(21)19(15)10-3-1-9(2-4-10)17(22)23/h1-6,11-14H,7-8H2,(H,22,23)/t11-,12+,13-,14-/m0/s1
InChIKey SLSURLHBKRZMFX-CRWXNKLISA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5K1sdta5KJr
Name 4-((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropan]-2(3H)-yl)benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H15NO4/c20-15-13-11-5-6-12(18(11)7-8-18)14(13)16(21)19(15)10-3-1-9(2-4-10)17(22)23/h1-6,11-14H,7-8H2,(H,22,23)/t11-,12+,13-,14-/m0/s1
InChIKey SLSURLHBKRZMFX-CRWXNKLISA-N
NMR Offset 16.524
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3868
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/7023634; Labnumber: LD-2400045; IOH_ID: IOH-003869
Temperature 313 °C