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2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate

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2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
SpectraBase Compound ID FpY1wnw8GYu
InChI InChI=1S/C27H23NO6S/c1-3-17-28-25(26(30)20-9-5-4-6-10-20)27(22-11-7-8-12-23(22)35(28,31)32)34-24(29)18-33-21-15-13-19(2)14-16-21/h3-16H,1,17-18H2,2H3
InChIKey XTKKJTUSKBBCPV-UHFFFAOYSA-N
Mol Weight 489.54 g/mol
Molecular Formula C27H23NO6S
Exact Mass 489.124609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqrfbS6jlit
Name 2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl (4-methylphenoxy)acetate
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/C27H23NO6S/c1-3-17-28-25(26(30)20-9-5-4-6-10-20)27(22-11-7-8-12-23(22)35(28,31)32)34-24(29)18-33-21-15-13-19(2)14-16-21/h3-16H,1,17-18H2,2H3
InChIKey XTKKJTUSKBBCPV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17964
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: D30197; Labnumber: RROK-0842; SBI_ID: SBI-017967
Temperature 318 °C