For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Benzothiazolylthioacetyl O-acetyl L-hydroxyproline methyl ester
SpectraBase Compound ID 5dKqcBHZbbz
InChI InChI=1S/C17H18N2O5S2/c1-10(20)24-11-7-13(16(22)23-2)19(8-11)15(21)9-25-17-18-12-5-3-4-6-14(12)26-17/h3-6,11,13H,7-9H2,1-2H3/t11?,13-/m0/s1
InChIKey BHNXBWDLAWXVJZ-YUZLPWPTSA-N
Mol Weight 394.46 g/mol
Molecular Formula C17H18N2O5S2
Exact Mass 394.065714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8OHyvWHbPH3
Name 2-Benzothiazolylthioacetyl O-acetyl L-hydroxyproline methyl ester
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O5S2
InChI InChI=1S/C17H18N2O5S2/c1-10(20)24-11-7-13(16(22)23-2)19(8-11)15(21)9-25-17-18-12-5-3-4-6-14(12)26-17/h3-6,11,13H,7-9H2,1-2H3/t11?,13-/m0/s1
InChIKey BHNXBWDLAWXVJZ-YUZLPWPTSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 394.460 g/mol
SMILES c1cc2c(cc1)nc(s2)SCC(N1[C@@](CC(C1)OC(C)=O)(C(=O)OC)[H])=O
SPLASH splash10-0a4i-0940000000-c40cb4950829a115ed2e
Source of Spectrum ARK-2011-349-8
Thin-Layer Chromatography Rf = 0.81 (Chloroform/Methanol, 95:5)
Wiley ID 1864535