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3-(propylsulfanyl)-6-(3-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 39k3KNi0VfA
InChI InChI=1S/C18H17N5OS/c1-2-10-25-18-21-17-15(22-23-18)13-7-3-4-8-14(13)20-16(24-17)12-6-5-9-19-11-12/h3-9,11,16,20H,2,10H2,1H3
InChIKey LLQXODQFGJUBLR-UHFFFAOYSA-N
Mol Weight 351.43 g/mol
Molecular Formula C18H17N5OS
Exact Mass 351.115381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2DbKVeq3Ts
Name 3-(propylsulfanyl)-6-(3-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
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/C18H17N5OS/c1-2-10-25-18-21-17-15(22-23-18)13-7-3-4-8-14(13)20-16(24-17)12-6-5-9-19-11-12/h3-9,11,16,20H,2,10H2,1H3
InChIKey LLQXODQFGJUBLR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16235
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: UZI/8083785; UBI_ID: UBI-016238
Synonyms propyl 6-(3-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature 313 °C