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Methyl 5-thia-3,3,6-trimethyl-2-acetoxyheptanoate
SpectraBase Compound ID A3ptiG9VVzF
InChI InChI=1S/C12H22O4S/c1-8(2)17-7-12(4,5)10(11(14)15-6)16-9(3)13/h8,10H,7H2,1-6H3
InChIKey QAXPZPICSMFMGP-UHFFFAOYSA-N
Mol Weight 262.36 g/mol
Molecular Formula C12H22O4S
Exact Mass 262.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y8aoL6vJEm
Name Methyl 5-thia-3,3,6-trimethyl-2-acetoxyheptanoate
CAS Registry Number 56210-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4S
InChI InChI=1S/C12H22O4S/c1-8(2)17-7-12(4,5)10(11(14)15-6)16-9(3)13/h8,10H,7H2,1-6H3
InChIKey QAXPZPICSMFMGP-UHFFFAOYSA-N
Molecular Weight 262.364 g/mol
SMILES C(C(CSC(C)C)(C)C)(C(=O)OC)OC(=O)C
SPLASH splash10-0006-9400000000-69d0a04d32ad5e31d4a7
Source of Spectrum J-40-3050-0
Synonyms Methyl 2-(acetyloxy)-4-(isopropylsulfanyl)-3,3-dimethylbutanoate Methyl 5-thia-3,3,6-trimethyl-2-acetocyheptanoate
Wiley ID 1265460