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acetic acid, [[3-[4-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-, phenylmethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[3-[4-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-, phenylmethyl ester
SpectraBase Compound ID 6Dh3LD2q9xp
InChI InChI=1S/C27H28N4O6S3/c28-40(35,36)21-10-8-19(9-11-21)12-14-29-23(32)7-4-15-31-26(34)25-22(13-16-38-25)30-27(31)39-18-24(33)37-17-20-5-2-1-3-6-20/h1-3,5-6,8-11,13,16H,4,7,12,14-15,17-18H2,(H,29,32)(H2,28,35,36)
InChIKey VANZFAZQWUTYAZ-UHFFFAOYSA-N
Mol Weight 600.72 g/mol
Molecular Formula C27H28N4O6S3
Exact Mass 600.117098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EmAPJTyClKF
Name acetic acid, [[3-[4-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-4-oxobutyl]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-, phenylmethyl 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/C27H28N4O6S3/c28-40(35,36)21-10-8-19(9-11-21)12-14-29-23(32)7-4-15-31-26(34)25-22(13-16-38-25)30-27(31)39-18-24(33)37-17-20-5-2-1-3-6-20/h1-3,5-6,8-11,13,16H,4,7,12,14-15,17-18H2,(H,29,32)(H2,28,35,36)
InChIKey VANZFAZQWUTYAZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6763
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: NMR/12218216