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Methyl 4-(1,3-dithian-2-yl)-3-methylpentanoate
SpectraBase Compound ID 6blmNhzih3O
InChI InChI=1S/C11H20O2S2/c1-8(7-10(12)13-3)9(2)11-14-5-4-6-15-11/h8-9,11H,4-7H2,1-3H3
InChIKey TUZLMTSDMSLXME-UHFFFAOYSA-N
Mol Weight 248.4 g/mol
Molecular Formula C11H20O2S2
Exact Mass 248.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IauaC99lhEP
Name Methyl 4-(1,3-dithian-2-yl)-3-methylpentanoate
CAS Registry Number 105705-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2S2
InChI InChI=1S/C11H20O2S2/c1-8(7-10(12)13-3)9(2)11-14-5-4-6-15-11/h8-9,11H,4-7H2,1-3H3
InChIKey TUZLMTSDMSLXME-UHFFFAOYSA-N
Molecular Weight 248.399 g/mol
SMILES C1CSC(SC1)C(C(C)CC(=O)OC)C
SPLASH splash10-014i-1900000000-605df4c78ac7757a65c0
Source of Spectrum F-42-2240-0
Synonyms 2-((1S,2S-Dimethyl-3-methoxycarbonyl)-propyl)-1,3-dithiane 4-(1,3-dithian-2-yl)-3-methyl-valeric acid methyl ester 4-(1,3-dithian-2-yl)-3-methylpentanoic acid methyl ester
Wiley ID 1250627