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2-Benzylsulfanylmethyl-3,3,3-trifluoropropionic acid

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2-Benzylsulfanylmethyl-3,3,3-trifluoropropionic acid
SpectraBase Compound ID LdG275wR1DG
InChI InChI=1S/C11H11F3O2S/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKey ORMULBWPTCFDNC-UHFFFAOYSA-N
Mol Weight 264.26 g/mol
Molecular Formula C11H11F3O2S
Exact Mass 264.043185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YkzIps0PQX
Name 2-[(benzylsulfanyl)methyl]-3,3,3-trifluoropropanoic acid
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/C11H11F3O2S/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKey ORMULBWPTCFDNC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1028
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: /VSVE61173; UBI_ID: UBI-001029
Temperature 318 °C