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3-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
SpectraBase Compound ID 4rJz2ePMbql
InChI InChI=1S/C18H19NO4/c1-10(2)11-3-5-12(6-4-11)19-9-18-8-7-13(23-18)14(17(21)22)15(18)16(19)20/h3-8,10,13-15H,9H2,1-2H3,(H,21,22)/t13-,14-,15+,18-/m1/s1
InChIKey GSGREUANUSWPFE-ZXFNITATSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Tw8AGkjVKT
Name 3-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic 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/C18H19NO4/c1-10(2)11-3-5-12(6-4-11)19-9-18-8-7-13(23-18)14(17(21)22)15(18)16(19)20/h3-8,10,13-15H,9H2,1-2H3,(H,21,22)/t13-,14-,15+,18-/m1/s1
InChIKey GSGREUANUSWPFE-ZXFNITATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10424
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: D79753; Labnumber: LGVRSB-0552; SBI_ID: SBI-010427
Temperature 315 °C