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(2S)-4-methyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
SpectraBase Compound ID 9Vx4JHRaHgz
InChI InChI=1S/C16H21N3O2S/c1-9(2)7-11(16(20)21)19-14-13-10-5-3-4-6-12(10)22-15(13)18-8-17-14/h8-9,11H,3-7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKey YWVCOSWLUPQJFC-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H21N3O2S
Exact Mass 319.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xoR1P3J8oh
Name (2S)-4-methyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamino)pentanoic 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/C16H21N3O2S/c1-9(2)7-11(16(20)21)19-14-13-10-5-3-4-6-12(10)22-15(13)18-8-17-14/h8-9,11H,3-7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKey YWVCOSWLUPQJFC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7627
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: 129697; Labnumber: EXP11T0007; VK_ID: VK-007631
Synonyms 4-methyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
Temperature 308 °C