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2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate

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2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate
SpectraBase Compound ID 8gdBaiiUoaV
InChI InChI=1S/C19H20N2O6S/c1-26-12-5-2-4-11(10-12)15-16-13(22)6-3-7-14(16)28-18(20)17(15)19(23)27-9-8-21(24)25/h2,4-5,10,15H,3,6-9,20H2,1H3
InChIKey KGGHLRLXBSKQQI-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C19H20N2O6S
Exact Mass 404.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1LCMrdTAKpF
Name 2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carboxylate
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/C19H20N2O6S/c1-26-12-5-2-4-11(10-12)15-16-13(22)6-3-7-14(16)28-18(20)17(15)19(23)27-9-8-21(24)25/h2,4-5,10,15H,3,6-9,20H2,1H3
InChIKey KGGHLRLXBSKQQI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1537
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/8020872; UBI_ID: UBI-001538
Temperature 308 °C