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N-Boc-thiobenzyl-glycin-benzyl thioester
SpectraBase Compound ID BmrqVOyvGmm
InChI InChI=1S/C21H25NO3S2/c1-21(2,3)25-20(24)22-18(26-14-16-10-6-4-7-11-16)19(23)27-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,22,24)
InChIKey WXGLSPWTZLOPSU-UHFFFAOYSA-N
Mol Weight 403.56 g/mol
Molecular Formula C21H25NO3S2
Exact Mass 403.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YSyd9iT1fr
Name N-Boc-thiobenzyl-glycin-benzyl thioester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3S2
InChI InChI=1S/C21H25NO3S2/c1-21(2,3)25-20(24)22-18(26-14-16-10-6-4-7-11-16)19(23)27-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,22,24)
InChIKey WXGLSPWTZLOPSU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560406
Molecular Weight 403.555 g/mol
SMILES N(C(C(SCc1ccccc1)=O)SCc1ccccc1)C(OC(C)(C)C)=O
SPLASH splash10-00kf-9000000000-9743f9aa22202d45312a
Source of Spectrum H-56-1223-1223_2
Synonyms S-benzyl 2-(benzylthio)-2-((tert-butoxycarbonyl)amino)ethanethioate
Wiley ID 1797097