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(3R*,4R*,S*)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-5-phenylpent-4-ynoate
SpectraBase Compound ID AzJVxjVVk7o
InChI InChI=1S/C24H27ClO3S/c1-18-11-13-20(14-12-18)29(27)22(25)24(5,17-21(26)28-23(2,3)4)16-15-19-9-7-6-8-10-19/h6-14,22H,17H2,1-5H3/t22-,24+,29?/m1/s1
InChIKey DDSGTVYULOWBBT-ZDFIXTKISA-N
Mol Weight 430.99 g/mol
Molecular Formula C24H27ClO3S
Exact Mass 430.136944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QGN3wfjlo
Name (3R*,4R*,S*)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-5-phenylpent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27ClO3S
InChI InChI=1S/C24H27ClO3S/c1-18-11-13-20(14-12-18)29(27)22(25)24(5,17-21(26)28-23(2,3)4)16-15-19-9-7-6-8-10-19/h6-14,22H,17H2,1-5H3/t22-,24+,29?/m1/s1
InChIKey DDSGTVYULOWBBT-ZDFIXTKISA-N
Molecular Weight 430.990 g/mol
SMILES [C@](S(c1ccc(cc1)C)=O)([C@@](C#Cc1ccccc1)(CC(OC(C)(C)C)=O)C)(Cl)[H]
SPLASH splash10-0a4l-4911000000-bebc10cc6456db8f9561
Source of Spectrum F-67-3088-29b
Wiley ID 1713204