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2-Benzothiazolylthioacetyl L-hydroxyproline methyl ester
SpectraBase Compound ID DvwtC1XEMu6
InChI InChI=1S/C15H16N2O4S2/c1-21-14(20)11-6-9(18)7-17(11)13(19)8-22-15-16-10-4-2-3-5-12(10)23-15/h2-5,9,11,18H,6-8H2,1H3/t9?,11-/m0/s1
InChIKey XJJDTQHYHYTDRE-UMJHXOGRSA-N
Mol Weight 352.42 g/mol
Molecular Formula C15H16N2O4S2
Exact Mass 352.055149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BElNmSnHWOQ
Name 2-Benzothiazolylthioacetyl L-hydroxyproline methyl ester
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O4S2
InChI InChI=1S/C15H16N2O4S2/c1-21-14(20)11-6-9(18)7-17(11)13(19)8-22-15-16-10-4-2-3-5-12(10)23-15/h2-5,9,11,18H,6-8H2,1H3/t9?,11-/m0/s1
InChIKey XJJDTQHYHYTDRE-UMJHXOGRSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 352.423 g/mol
SMILES OC1C[C@](N(C(CSc2nc3c(cccc3)s2)=O)C1)(C(=O)OC)[H]
SPLASH splash10-052f-0920000000-405a42855953a9c7f853
Source of Spectrum ARK-2011-345-3
Thin-Layer Chromatography Rf = 0.25 (Chloroform/Methanol, 95:5)
Wiley ID 1864520