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Dimethyl trans-1-[2-chloro-3-(phenylthio)propionyl]pyrrolidine-2,5-dicarboxylate
SpectraBase Compound ID XRkBWO4QJ2
InChI InChI=1S/C17H20ClNO5S/c1-23-16(21)13-8-9-14(17(22)24-2)19(13)15(20)12(18)10-25-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12?,13-,14-/m0/s1
InChIKey JYIPUAYQBAYVPV-TTZKSVMKSA-N
Mol Weight 385.86 g/mol
Molecular Formula C17H20ClNO5S
Exact Mass 385.075072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kkg0shULwhd
Name Dimethyl trans-1-[2-chloro-3-(phenylthio)propionyl]pyrrolidine-2,5-dicarboxylate
CAS Registry Number 118335-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClNO5S
InChI InChI=1S/C17H20ClNO5S/c1-23-16(21)13-8-9-14(17(22)24-2)19(13)15(20)12(18)10-25-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12?,13-,14-/m0/s1
InChIKey JYIPUAYQBAYVPV-TTZKSVMKSA-N
Molecular Weight 385.862 g/mol
SMILES C(N1[C@](C(=O)OC)(CC[C@]1(C(=O)OC)[H])[H])(C(CSc1ccccc1)Cl)=O
SPLASH splash10-03fr-0911000000-17e3cf2d77e123480f16
Source of Spectrum K-122-549-8
Synonyms Dimethyl (2S,5S)-1-[2-chloro-3-(phenylsulfanyl)propanoyl]-2,5-pyrrolidinedicarboxylate
Wiley ID 1362103