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(E,3S,rs)-Tert-butyl-1-(p-tolylsulfinyl)but-1-en-3-ylcarbamate

View entire compound with spectra: 1 NMR

(E,3S,rs)-Tert-butyl-1-(p-tolylsulfinyl)but-1-en-3-ylcarbamate
SpectraBase Compound ID AcIuBfnrzeL
InChI InChI=1S/C16H23NO3S/c1-12-6-8-14(9-7-12)21(19)11-10-13(2)17-15(18)20-16(3,4)5/h6-11,13H,1-5H3,(H,17,18)/b11-10+
InChIKey YMUNQCVCMKYCDT-ZHACJKMWSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H23NO3S
Exact Mass 309.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SlMFCRuMWQ
Name (E,3S,rs)-Tert-butyl-1-(p-tolylsulfinyl)but-1-en-3-ylcarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.139864776 u
Formula C16H23NO3S
InChI InChI=1S/C16H23NO3S/c1-12-6-8-14(9-7-12)21(19)11-10-13(2)17-15(18)20-16(3,4)5/h6-11,13H,1-5H3,(H,17,18)/b11-10+
InChIKey YMUNQCVCMKYCDT-ZHACJKMWSA-N
Molecular Weight 309.424 g/mol
SMILES C(NC(\C=C\[S@@](C1=CC=C(C)C=C1)=O)C)(OC(C)(C)C)=O