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S-(1-Nitro-pentadecan-2-yl)-trifluoromethyl-carboxy-glutathione dimethyl ester, compound 13B

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S-(1-Nitro-pentadecan-2-yl)-trifluoromethyl-carboxy-glutathione dimethyl ester, compound 13B
SpectraBase Compound ID 6jNuFeeU8hd
InChI InChI=1S/C29H49F3N4O9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(19-36(42)43)46-20-23(26(39)33-18-25(38)44-2)34-24(37)17-16-22(27(40)45-3)35-28(41)29(30,31)32/h21-23H,4-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,41)
InChIKey AYICLSQKXQHZKG-UHFFFAOYSA-N
Mol Weight 686.8 g/mol
Molecular Formula C29H49F3N4O9S
Exact Mass 686.317235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iIN22RSWjk
Name S-(1-Nitro-pentadecan-2-yl)-trifluoromethyl-carboxy-glutathione dimethyl ester, compound 13B
Comments 29-27 PPM (C5-C13), REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H49F3N4O9S
InChI InChI=1S/C29H49F3N4O9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(19-36(42)43)46-20-23(26(39)33-18-25(38)44-2)34-24(37)17-16-22(27(40)45-3)35-28(41)29(30,31)32/h21-23H,4-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,41)
InChIKey AYICLSQKXQHZKG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference S.G. Spanton, G.D. Prestwich, Tetrahedron 38, 1921 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3