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octyl 5-(acetyloxy)-2-({[amino(imino)methyl]sulfanyl}methyl)-6-bromo-1-methyl-1H-indole-3-carboxylate
SpectraBase Compound ID EkdpcPSPoCZ
InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
InChIKey VZWKDYHNAFXALD-UHFFFAOYSA-N
Mol Weight 512.46 g/mol
Molecular Formula C22H30BrN3O4S
Exact Mass 511.114041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CdnmNYnJF1I
Name octyl 5-(acetyloxy)-2-({[amino(imino)methyl]sulfanyl}methyl)-6-bromo-1-methyl-1H-indole-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/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
InChIKey VZWKDYHNAFXALD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_84
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: 601728; Labnumber: GRAN5-017; VK_ID: VK-000085
Temperature 315 °C