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1,1-bis(butylthio)but-3-en-2-one
SpectraBase Compound ID 1ElnaICr1ZU
InChI InChI=1S/C12H22OS2/c1-4-7-9-14-12(11(13)6-3)15-10-8-5-2/h6,12H,3-5,7-10H2,1-2H3
InChIKey RGEUJDQHQKHEHM-UHFFFAOYSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CoHRzZvShq
Name 1,1-bis(butylthio)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-4-7-9-14-12(11(13)6-3)15-10-8-5-2/h6,12H,3-5,7-10H2,1-2H3
InChIKey RGEUJDQHQKHEHM-UHFFFAOYSA-N
Instrument Name Agilent 6890 GC-5973 N MSD
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202101730
Molecular Weight 246.427 g/mol
SMILES C(CCC)SC(C(C=C)=O)SCCCC
SPLASH splash10-0006-8900000000-7c2e95dc5dd55fd6ad30
Source of Spectrum CCC-14-SM10-TA-VG
Wiley ID 1871805