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(S)-4-Nonyl-5-[4-(methoxycarbonyl)butyl][2,1,3]thiadioxole 2,2-dione
SpectraBase Compound ID 1Ngl0eMAUqz
InChI InChI=1S/C17H32O6S/c1-3-4-5-6-7-8-9-12-15-16(23-24(19,20)22-15)13-10-11-14-17(18)21-2/h15-16H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKey PXCKXHDJQQTDNS-HOTGVXAUSA-N
Mol Weight 364.5 g/mol
Molecular Formula C17H32O6S
Exact Mass 364.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtHFNjhpI
Name (S)-4-Nonyl-5-[4-(methoxycarbonyl)butyl][2,1,3]thiadioxole 2,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O6S
InChI InChI=1S/C17H32O6S/c1-3-4-5-6-7-8-9-12-15-16(23-24(19,20)22-15)13-10-11-14-17(18)21-2/h15-16H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKey PXCKXHDJQQTDNS-HOTGVXAUSA-N
Molecular Weight 364.497 g/mol
SMILES [C@@]1(OS(O[C@]1(CCCCCCCCC)[H])(=O)=O)(CCCCC(=O)OC)[H]
SPLASH splash10-000t-6918000000-b5ad01991ca083b393c4
Source of Spectrum Y1-37-215-4
Synonyms (5S,6R)-4-Nonyl-5-[4-(methoxycarbonyl)butyl][2,1,3]thiadioxole 2,2-dione Methyl 5-[(4S)-5-nonyl-2,2-dioxido-1,3,2-dioxathiolan-4-yl]pentanoate
Wiley ID 1527330