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4-methylsulphinylbut-3-enylisothiocyanate
SpectraBase Compound ID 2wjh1O6UJlJ
InChI InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3
InChIKey QKGJFQMGPDVOQE-UHFFFAOYSA-N
Mol Weight 175.26 g/mol
Molecular Formula C6H9NOS2
Exact Mass 175.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPE5aVn9QCY
Name 4-methylsulphinylbut-3-enylisothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NOS2
InChI InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3
InChIKey QKGJFQMGPDVOQE-UHFFFAOYSA-N
Instrument Name AEI MS-902
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740310606
Molecular Weight 175.264 g/mol
SMILES CS(C=CCCN=C=S)=O
SPLASH splash10-00dj-9000000000-a50949b17f59a653e70d
Source of Spectrum SFA-31-551-20
Wiley ID 1856621