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ethyl 2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID LCunYn5ZeS2
InChI InChI=1S/C18H22N4O5S/c1-3-27-18(24)16-12-7-5-4-6-8-13(12)28-17(16)19-15(23)10-21-11(2)9-14(20-21)22(25)26/h9H,3-8,10H2,1-2H3,(H,19,23)
InChIKey INVKODDDTNGOPK-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C18H22N4O5S
Exact Mass 406.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CZslcaRZ9P1
Name ethyl 2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C18H22N4O5S/c1-3-27-18(24)16-12-7-5-4-6-8-13(12)28-17(16)19-15(23)10-21-11(2)9-14(20-21)22(25)26/h9H,3-8,10H2,1-2H3,(H,19,23)
InChIKey INVKODDDTNGOPK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2304
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/8050209; UBI_ID: UBI-002305
Temperature 308 °C