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2-(heptylsulfanyl)-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 8sqZutTBBkr
InChI InChI=1S/C25H31N3O2S/c1-4-5-6-7-11-14-31-24-27-22-20(23(29)28(24)19-12-9-8-10-13-19)15-18-17-30-25(2,3)16-21(18)26-22/h8-10,12-13,15H,4-7,11,14,16-17H2,1-3H3
InChIKey XDSGSDSFUSKQMN-UHFFFAOYSA-N
Mol Weight 437.6 g/mol
Molecular Formula C25H31N3O2S
Exact Mass 437.213698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CiunvIPxorT
Name 2-(heptylsulfanyl)-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[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/C25H31N3O2S/c1-4-5-6-7-11-14-31-24-27-22-20(23(29)28(24)19-12-9-8-10-13-19)15-18-17-30-25(2,3)16-21(18)26-22/h8-10,12-13,15H,4-7,11,14,16-17H2,1-3H3
InChIKey XDSGSDSFUSKQMN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12253
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: 801291; Labnumber: AE95-836; VK_ID: VK-012258
Temperature 313 °C