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Pentanoic acid, 5-(dimethylamino)-3-methyl-5-thioxo-, 1,1-dimethylethyl ester
SpectraBase Compound ID IJXSS4V5YKn
InChI InChI=1S/C12H23NO2S/c1-9(7-10(16)13(5)6)8-11(14)15-12(2,3)4/h9H,7-8H2,1-6H3
InChIKey JHVPQHDCQXKPLP-UHFFFAOYSA-N
Mol Weight 245.38 g/mol
Molecular Formula C12H23NO2S
Exact Mass 245.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kZJoKnMByE
Name Pentanoic acid, 5-(dimethylamino)-3-methyl-5-thioxo-, 1,1-dimethylethyl ester
Alternate Name(s) N,N-dimethyl-3-methyl-4-carbo-tert-butoxythiobutanamide tert-Butyl 5-(dimethylamino)-3-methyl-5-thioxopentanoate
CAS Registry Number 70367-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO2S
InChI InChI=1S/C12H23NO2S/c1-9(7-10(16)13(5)6)8-11(14)15-12(2,3)4/h9H,7-8H2,1-6H3
InChIKey JHVPQHDCQXKPLP-UHFFFAOYSA-N
Molecular Weight 245.381 g/mol
SMILES C(=S)(N(C)C)CC(CC(OC(C)(C)C)=O)C
SPLASH splash10-0udi-0900000000-4299e3e56e2975250d43
Source of Spectrum C-101-1317-0
Wiley ID 1247886