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3-allyl-2-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID CUbU0FiXo2C
InChI InChI=1S/C21H21ClN2O2S2/c1-4-9-24-19(25)17-15-10-21(2,3)26-11-16(15)28-18(17)23-20(24)27-12-13-5-7-14(22)8-6-13/h4-8H,1,9-12H2,2-3H3
InChIKey HPVSQFHBJZHINM-UHFFFAOYSA-N
Mol Weight 432.98 g/mol
Molecular Formula C21H21ClN2O2S2
Exact Mass 432.073298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FlPN39X9vV3
Name 3-allyl-2-[(4-chlorobenzyl)sulfanyl]-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/C21H21ClN2O2S2/c1-4-9-24-19(25)17-15-10-21(2,3)26-11-16(15)28-18(17)23-20(24)27-12-13-5-7-14(22)8-6-13/h4-8H,1,9-12H2,2-3H3
InChIKey HPVSQFHBJZHINM-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12149
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801238; Labnumber: AE95-781; VK_ID: VK-012154
Temperature 318 °C