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acetic acid, [4-[[(4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2(1H)-phthalazinyl)acetyl]amino]phenoxy]-, methyl ester

View entire compound with spectra: 1 NMR

acetic acid, [4-[[(4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2(1H)-phthalazinyl)acetyl]amino]phenoxy]-, methyl ester
SpectraBase Compound ID Hrg6DDBoanZ
InChI InChI=1S/C31H32N4O7S/c1-21-10-11-22(18-27(21)43(39,40)34-16-6-3-7-17-34)30-25-8-4-5-9-26(25)31(38)35(33-30)19-28(36)32-23-12-14-24(15-13-23)42-20-29(37)41-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,32,36)
InChIKey QNVUXUJPJRTSQU-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C31H32N4O7S
Exact Mass 604.199171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXfCyhBu5Pm
Name acetic acid, [4-[[(4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2(1H)-phthalazinyl)acetyl]amino]phenoxy]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 604.199170553 u
Formula C31H32N4O7S
InChI InChI=1S/C31H32N4O7S/c1-21-10-11-22(18-27(21)43(39,40)34-16-6-3-7-17-34)30-25-8-4-5-9-26(25)31(38)35(33-30)19-28(36)32-23-12-14-24(15-13-23)42-20-29(37)41-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,32,36)
InChIKey QNVUXUJPJRTSQU-UHFFFAOYSA-N
Molecular Weight 604.678 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16537
Solvent DMSO-d6
Source Vendor ID: NMR/10310104; Lab Info: ZUB; Lab Number: ZUB-0000816