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3-{[(1-benzyl-1H-pyrazol-4-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID CbBsD0QqWAZ
InChI InChI=1S/C18H19N3O4/c22-17(15-13-6-7-14(25-13)16(15)18(23)24)20-12-8-19-21(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13-16H,6-7,9H2,(H,20,22)(H,23,24)/t13-,14+,15+,16+/m0/s1
InChIKey SLVLJBWSJIGQQU-ZJIFWQFVSA-N
Mol Weight 341.37 g/mol
Molecular Formula C18H19N3O4
Exact Mass 341.137556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2hLYRh2CiN6
Name 3-{[(1-benzyl-1H-pyrazol-4-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-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/C18H19N3O4/c22-17(15-13-6-7-14(25-13)16(15)18(23)24)20-12-8-19-21(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13-16H,6-7,9H2,(H,20,22)(H,23,24)/t13-,14+,15+,16+/m0/s1
InChIKey SLVLJBWSJIGQQU-ZJIFWQFVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19078
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: UZI/9134993; UBI_ID: UBI-019081
Temperature 318 °C