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3-(benzylsulfonyl)propionic acid, ethyl ester

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3-(benzylsulfonyl)propionic acid, ethyl ester
SpectraBase Compound ID IzxyBHZ69Ku
InChI InChI=1S/C12H16O4S/c1-2-16-12(13)8-9-17(14,15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey XOFFGKLXNHQWMW-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdGJXdZJyog
Name ethyl 3-(benzylsulfonyl)propanoate
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/C12H16O4S/c1-2-16-12(13)8-9-17(14,15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey XOFFGKLXNHQWMW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17431
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: 987/00005537; Labnumber: 987/00005537218867; VK_ID: VK-017436
Temperature 318 °C