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5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
SpectraBase Compound ID 1xr8jywUHP
InChI InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)
InChIKey YBIRDHJXPIORJB-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H12N4O2
Exact Mass 244.096026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4utMNn60II3
Name 5-(1,3-benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
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/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)
InChIKey YBIRDHJXPIORJB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16742
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: 987/00004319; Labnumber: 987/00004319218852; VK_ID: VK-016747
Synonyms 2-amino-5-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidinylamine
Temperature 318 °C