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2-amino-3-(2-chlorobenzyl)-1,3-thiazol-3-ium 3-carboxy-2,2,3-trimethylcyclopentanecarboxylate

View entire compound with spectra: 1 NMR

2-amino-3-(2-chlorobenzyl)-1,3-thiazol-3-ium 3-carboxy-2,2,3-trimethylcyclopentanecarboxylate
SpectraBase Compound ID Cojuxzxj0lS
InChI InChI=1S/C10H9ClN2S.C10H16O4/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h1-6,12H,7H2;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKey SASYIERJWCRQCI-UHFFFAOYSA-N
Mol Weight 424.94 g/mol
Molecular Formula C20H25ClN2O4S
Exact Mass 424.122356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 13jDP2shnGj
Name 2-amino-3-(2-chlorobenzyl)-1,3-thiazol-3-ium 3-carboxy-2,2,3-trimethylcyclopentanecarboxylate
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/C10H9ClN2S.C10H16O4/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h1-6,12H,7H2;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKey SASYIERJWCRQCI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16672
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: 987/00004212; Labnumber: 987/00004212218851; VK_ID: VK-016677
Temperature 318 °C