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3-mercapto-4-methyl-2-hexanone
SpectraBase Compound ID 1gTwGVZO52C
InChI InChI=1S/C7H14OS/c1-4-5(2)7(9)6(3)8/h5,7,9H,4H2,1-3H3
InChIKey JWMDAOZVXXCQCN-UHFFFAOYSA-N
Mol Weight 146.25 g/mol
Molecular Formula C7H14OS
Exact Mass 146.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E2z2GCRsOn
Name 3-mercapto-4-methyl-2-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14OS
InChI InChI=1S/C7H14OS/c1-4-5(2)7(9)6(3)8/h5,7,9H,4H2,1-3H3
InChIKey JWMDAOZVXXCQCN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 146.248 g/mol
SMILES SC(C(C)=O)C(CC)C
SPLASH splash10-0006-9000000000-170a24bf64aa09e56289
Sample Comments diastereomeric mixture
Source of Spectrum JP5261185B2
Wiley ID 1852370