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6-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID JbQexnkgMnv
InChI InChI=1S/C16H17NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h1-2,5-7,11-12H,3-4,8-9H2,(H,17,18)(H,19,20)
InChIKey HHAAIAYQIHCDFL-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bx1zilO8pAc
Name 6-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-3-cyclohexene-1-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/C16H17NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h1-2,5-7,11-12H,3-4,8-9H2,(H,17,18)(H,19,20)
InChIKey HHAAIAYQIHCDFL-UHFFFAOYSA-N
NMR Offset 14.7616
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_3458
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/6064515; Labnumber: lp-020644; IOH_ID: IOH-003459
Temperature 297 °C