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1-[1-(N-(methoxycarbonyl)amino)-2-(2,2,2-trichloroethoxycarbonylthio)-ethyl]-2-hydroxy-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID GskIau1l2Ju
InChI InChI=1S/C18H20Cl3N3O5S/c1-28-16(25)23-13(8-30-17(26)29-9-18(19,20)21)15-14-11(6-7-24(15)27)10-4-2-3-5-12(10)22-14/h2-5,13,15,22,27H,6-9H2,1H3,(H,23,25)
InChIKey QFXRXHCERDBZJN-UHFFFAOYSA-N
Mol Weight 496.79 g/mol
Molecular Formula C18H20Cl3N3O5S
Exact Mass 495.018925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVv7sXOcJFL
Name 1-[1-(N-(methoxycarbonyl)amino)-2-(2,2,2-trichloroethoxycarbonylthio)-ethyl]-2-hydroxy-1,2,3,4-tetrahydro-.beta.-carboline
CAS Registry Number 129031-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20Cl3N3O5S
InChI InChI=1S/C18H20Cl3N3O5S/c1-28-16(25)23-13(8-30-17(26)29-9-18(19,20)21)15-14-11(6-7-24(15)27)10-4-2-3-5-12(10)22-14/h2-5,13,15,22,27H,6-9H2,1H3,(H,23,25)
InChIKey QFXRXHCERDBZJN-UHFFFAOYSA-N
Molecular Weight 496.793 g/mol
SMILES N(C(C1N(CCc2c1[nH]c1ccccc21)O)CSC(=O)OCC(Cl)(Cl)Cl)C(=O)OC
SPLASH splash10-00lr-9410000000-c259634abeaa1a1482d3
Source of Spectrum F-45-7737-8
Synonyms S-{2-(2-hydroxy-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl)-2-[(methoxycarbonyl)amino]ethyl} O-(2,2,2-trichloroethyl) thiocarbonate
Wiley ID 1398041