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3-{[2-(methylsulfanyl)anilino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 2IcktPTmRbL
InChI InChI=1S/C16H19NO3S/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+,13-,14-/m1/s1
InChIKey UQTOGQHLUONZDZ-RDBQEKCUSA-N
Mol Weight 305.39 g/mol
Molecular Formula C16H19NO3S
Exact Mass 305.108565 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6984cRGiJVm
Name 3-{[2-(methylsulfanyl)anilino]carbonyl}bicyclo[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/C16H19NO3S/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+,13-,14-/m1/s1
InChIKey UQTOGQHLUONZDZ-RDBQEKCUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21134
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/9348748; UBI_ID: UBI-021138
Temperature 318 °C