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3-(4-bromophenyl)-2-(heptylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 1A6yi71qhin
InChI InChI=1S/C24H29BrN2O2S2/c1-4-5-6-7-8-13-30-23-26-21-20(18-14-24(2,3)29-15-19(18)31-21)22(28)27(23)17-11-9-16(25)10-12-17/h9-12H,4-8,13-15H2,1-3H3
InChIKey RDMVQELLGXUCQH-UHFFFAOYSA-N
Mol Weight 521.53 g/mol
Molecular Formula C24H29BrN2O2S2
Exact Mass 520.085384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8IoxPbO8KoY
Name 3-(4-bromophenyl)-2-(heptylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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/C24H29BrN2O2S2/c1-4-5-6-7-8-13-30-23-26-21-20(18-14-24(2,3)29-15-19(18)31-21)22(28)27(23)17-11-9-16(25)10-12-17/h9-12H,4-8,13-15H2,1-3H3
InChIKey RDMVQELLGXUCQH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12194
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: 801111; Labnumber: AE95-617; VK_ID: VK-012199
Temperature 308 °C