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2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

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2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID ER6GDAKmWTe
InChI InChI=1S/C25H25N5O3S/c1-25(2)13-20-19(14-33-25)23-28-29-24(30(23)22(27-20)16-7-5-4-6-8-16)34-15-21(31)26-17-9-11-18(32-3)12-10-17/h4-12H,13-15H2,1-3H3,(H,26,31)
InChIKey SCEMBUTVQLFRKR-UHFFFAOYSA-N
Mol Weight 475.57 g/mol
Molecular Formula C25H25N5O3S
Exact Mass 475.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eyc5jrreQ5
Name 2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
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/C25H25N5O3S/c1-25(2)13-20-19(14-33-25)23-28-29-24(30(23)22(27-20)16-7-5-4-6-8-16)34-15-21(31)26-17-9-11-18(32-3)12-10-17/h4-12H,13-15H2,1-3H3,(H,26,31)
InChIKey SCEMBUTVQLFRKR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16399
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: D20748; Labnumber: AE992-587; SBI_ID: SBI-016402
Temperature 318 °C