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isopropyl 2-[(3-methylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID BWnTNcjbUn6
InChI InChI=1S/C17H25NO3S/c1-10(2)9-14(19)18-16-15(17(20)21-11(3)4)12-7-5-6-8-13(12)22-16/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKey ZSWCAQAUFUZUGO-UHFFFAOYSA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9lobCU4INK
Name isopropyl 2-[(3-methylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C17H25NO3S/c1-10(2)9-14(19)18-16-15(17(20)21-11(3)4)12-7-5-6-8-13(12)22-16/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKey ZSWCAQAUFUZUGO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13060
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/8039426; Labnumber: NSB0021139; UZI_ID: UZI-013064
Temperature 308 °C