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methyl 3-nitro-1-(3-phenylpropyl)-1H-1,2,4-triazol-5-yl sulfone

View entire compound with spectra: 1 NMR

methyl 3-nitro-1-(3-phenylpropyl)-1H-1,2,4-triazol-5-yl sulfone
SpectraBase Compound ID FHBBJLqyUw9
InChI InChI=1S/C12H14N4O4S/c1-21(19,20)12-13-11(16(17)18)14-15(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey MOIKHYXSJHNKQJ-UHFFFAOYSA-N
Mol Weight 310.33 g/mol
Molecular Formula C12H14N4O4S
Exact Mass 310.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVHZsGhBLwB
Name methyl 3-nitro-1-(3-phenylpropyl)-1H-1,2,4-triazol-5-yl sulfone
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/C12H14N4O4S/c1-21(19,20)12-13-11(16(17)18)14-15(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey MOIKHYXSJHNKQJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7357
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: D29131; Labnumber: TOLST-0136; SBI_ID: SBI-007360
Synonyms 5-(methylsulfonyl)-3-nitro-1-(3-phenylpropyl)-1H-1,2,4-triazole
Temperature 308 °C