Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester

SpectraBase Compound ID	7bROKizOsGi
InChI	InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey	MYZAZKVZPXCBDK-UHFFFAOYSA-N Google Search
Mol Weight	353.4 g/mol
Molecular Formula	C18H15N3O3S
Exact Mass	353.083413 g/mol

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SpectraBase Spectrum ID	AyxvZDmSOVE
Name	methyl 4-{[(1-phthalazinylsulfanyl)acetyl]amino}benzoate
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/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)
InChIKey	MYZAZKVZPXCBDK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29319
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: D92366; Labnumber: NNOBK-5455-1; SBI_ID: SBI-029323
Temperature	308 °C