benzoic acid, 4-[[9,10-dihydro-4-oxo-9-[2-(2-thienyl)ethyl]-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]-, methyl ester

SpectraBase Compound ID	2EsKRUYjBBf
InChI	InChI=1S/C25H21NO6S/c1-29-25(28)16-4-6-17(7-5-16)32-22-14-30-24-19(23(22)27)8-9-21-20(24)13-26(15-31-21)11-10-18-3-2-12-33-18/h2-9,12,14H,10-11,13,15H2,1H3
InChIKey	ATWWHKPDOUKQCU-UHFFFAOYSA-N Google Search
Mol Weight	463.5 g/mol
Molecular Formula	C25H21NO6S
Exact Mass	463.108959 g/mol

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SpectraBase Spectrum ID	27jKgcbOSHn
Name	benzoic acid, 4-[[9,10-dihydro-4-oxo-9-[2-(2-thienyl)ethyl]-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]-, methyl ester
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/C25H21NO6S/c1-29-25(28)16-4-6-17(7-5-16)32-22-14-30-24-19(23(22)27)8-9-21-20(24)13-26(15-31-21)11-10-18-3-2-12-33-18/h2-9,12,14H,10-11,13,15H2,1H3
InChIKey	ATWWHKPDOUKQCU-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8684
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: F33362; Labnumber: ExLab-N0009-2348