(1S,9R)-N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide

SpectraBase Compound ID	6pweNRc3ft7
InChI	InChI=1S/C18H18FN3OS/c19-14-4-1-2-5-15(14)20-18(24)21-9-12-8-13(11-21)16-6-3-7-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)
InChIKey	MDUBHQXXFVABLX-UHFFFAOYSA-N Google Search
Mol Weight	343.42 g/mol
Molecular Formula	C18H18FN3OS
Exact Mass	343.115462 g/mol

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SpectraBase Spectrum ID	8aljoet3Vlh
Name	(1S,9R)-N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
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/C18H18FN3OS/c19-14-4-1-2-5-15(14)20-18(24)21-9-12-8-13(11-21)16-6-3-7-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)
InChIKey	MDUBHQXXFVABLX-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_12210
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: D59373; Labnumber: NCOBK-0515; SBI_ID: SBI-012213
Synonyms	N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Temperature	318 °C