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2-Nonyn-4-ol, 1-phenyl-1-[[2-[7-(triphenylmethoxy)-2-heptenyl]-6-thiabicyclo[3.1.0]hex-3-yl]thio]-, acetate
SpectraBase Compound ID 5pLrMKIjAq9
InChI InChI=1S/C48H54O3S2/c1-3-4-12-31-42(51-37(2)49)33-34-44(38-23-13-8-14-24-38)52-45-36-46-47(53-46)43(45)32-21-6-5-7-22-35-50-48(39-25-15-9-16-26-39,40-27-17-10-18-28-40)41-29-19-11-20-30-41/h6,8-11,13-21,23-30,42-47H,3-5,7,12,22,31-32,35-36H2,1-2H3/b21-6+
InChIKey YYUZHHWAGBYBOU-AERZKKPOSA-N
Mol Weight 743.1 g/mol
Molecular Formula C48H54O3S2
Exact Mass 742.351438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RqCYBj3NxJ
Name 2-Nonyn-4-ol, 1-phenyl-1-[[2-[7-(triphenylmethoxy)-2-heptenyl]-6-thiabicyclo[3.1.0]hex-3-yl]thio]-, acetate
CAS Registry Number 106470-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H54O3S2
InChI InChI=1S/C48H54O3S2/c1-3-4-12-31-42(51-37(2)49)33-34-44(38-23-13-8-14-24-38)52-45-36-46-47(53-46)43(45)32-21-6-5-7-22-35-50-48(39-25-15-9-16-26-39,40-27-17-10-18-28-40)41-29-19-11-20-30-41/h6,8-11,13-21,23-30,42-47H,3-5,7,12,22,31-32,35-36H2,1-2H3/b21-6+
InChIKey YYUZHHWAGBYBOU-AERZKKPOSA-N
Molecular Weight 743.077 g/mol
SMILES C12SC1CC(C2C\C=C\CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)SC(C#CC(OC(=O)C)CCCCC)c1ccccc1
SPLASH splash10-0006-0090100000-6f3116ab69f7b6ec0ded
Source of Spectrum J-52-874-39
Synonyms 6-Thiabicyclo[3.1.0]hexane, 2-nonyn-4-ol deriv. (Z)-(1SR,2SR,3SR,5RS)-3-[[4(S)-hydroxy-1-phenylnon-2-ynyl]thio]-2-(7-triphenylmethoxy-2-heptenyl)-1,5-epithiocyclopentane acetate 1-Pentyl-4-phenyl-4-({2-[(2E)-7-(trityloxy)-2-heptenyl]-6-thiabicyclo[3.1.0]hex-3-yl}sulfanyl)-2-butynyl acetate
Wiley ID 1416164