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2-Methyl-5-(morpholine-4-sulfonyl)-benzoic acid thiophen-2-ylmethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Methyl-5-(morpholine-4-sulfonyl)-benzoic acid thiophen-2-ylmethyl ester
SpectraBase Compound ID 8cd7UQso5RY
InChI InChI=1S/C17H19NO5S2/c1-13-4-5-15(25(20,21)18-6-8-22-9-7-18)11-16(13)17(19)23-12-14-3-2-10-24-14/h2-5,10-11H,6-9,12H2,1H3
InChIKey KJLIMRRWPVXYJO-UHFFFAOYSA-N
Mol Weight 381.46 g/mol
Molecular Formula C17H19NO5S2
Exact Mass 381.070465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qArxRL5Jfy
Name benzoic acid, 2-methyl-5-(4-morpholinylsulfonyl)-, 2-thienylmethylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.070465059 u
Formula C17H19NO5S2
InChI InChI=1S/C17H19NO5S2/c1-13-4-5-15(25(20,21)18-6-8-22-9-7-18)11-16(13)17(19)23-12-14-3-2-10-24-14/h2-5,10-11H,6-9,12H2,1H3
InChIKey KJLIMRRWPVXYJO-UHFFFAOYSA-N
Molecular Weight 381.461 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6714
Solvent DMSO-d6
Source Vendor ID: NMR/10220298; Lab Info: SP; Lab Number: SP-X000315