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Ethyl N-pivaloyl-[(S)-5-phenylthiomethylpyrrolidin-2-ylidene]glycinate
SpectraBase Compound ID 70AK5PCR0Sl
InChI InChI=1S/C20H28N2O3S/c1-5-25-18(23)17(22-19(24)20(2,3)4)16-12-11-14(21-16)13-26-15-9-7-6-8-10-15/h6-10,14,21H,5,11-13H2,1-4H3,(H,22,24)/b17-16+/t14-/m0/s1
InChIKey LALNEFQPVKCHAM-VUAZUDAXSA-N
Mol Weight 376.52 g/mol
Molecular Formula C20H28N2O3S
Exact Mass 376.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cCTLPdqMRC
Name Ethyl N-pivaloyl-[(S)-5-phenylthiomethylpyrrolidin-2-ylidene]glycinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O3S
InChI InChI=1S/C20H28N2O3S/c1-5-25-18(23)17(22-19(24)20(2,3)4)16-12-11-14(21-16)13-26-15-9-7-6-8-10-15/h6-10,14,21H,5,11-13H2,1-4H3,(H,22,24)/b17-16+/t14-/m0/s1
InChIKey LALNEFQPVKCHAM-VUAZUDAXSA-N
Molecular Weight 376.515 g/mol
SMILES N1[C@@](CC\C1=C\(NC(C(C)(C)C)=O)C(=O)OCC)(CSc1ccccc1)[H]
SPLASH splash10-0a4i-6090000000-639a075e8314d3f65a64
Source of Spectrum F-59-3094-5a
Wiley ID 1677931