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N-(p-Nitrobenzyloxycarbonyl)-4.alpha.-acetoxy-3.beta.-acetylthiopyrrolidine
SpectraBase Compound ID LeRdgqkRC2c
InChI InChI=1S/C16H18N2O7S/c1-10(19)25-14-7-17(8-15(14)26-11(2)20)16(21)24-9-12-3-5-13(6-4-12)18(22)23/h3-6,14-15H,7-9H2,1-2H3/t14-,15-/m1/s1
InChIKey NCLPMYHYTZHWNM-HUUCEWRRSA-N
Mol Weight 382.39 g/mol
Molecular Formula C16H18N2O7S
Exact Mass 382.083472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72M068gekjt
Name N-(p-Nitrobenzyloxycarbonyl)-4.alpha.-acetoxy-3.beta.-acetylthiopyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O7S
InChI InChI=1S/C16H18N2O7S/c1-10(19)25-14-7-17(8-15(14)26-11(2)20)16(21)24-9-12-3-5-13(6-4-12)18(22)23/h3-6,14-15H,7-9H2,1-2H3/t14-,15-/m1/s1
InChIKey NCLPMYHYTZHWNM-HUUCEWRRSA-N
Molecular Weight 382.387 g/mol
SMILES C(N1C[C@@](SC(=O)C)([C@@](C1)(OC(=O)C)[H])[H])(OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-000f-9430000000-e1244f07efa204a29bfe
Source of Spectrum QB-14-514-7
Synonyms 4-Nitrobenzyl (3R,4R)-3-(acetyloxy)-4-(acetylsulfanyl)-1-pyrrolidinecarboxylate
Wiley ID 841312