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1-Methyl-5-((3-methylbut-2-en-1-yl)thio)-1H-tetrazole
SpectraBase Compound ID CiXlQ6D5jyF
InChI InChI=1S/C7H12N4S/c1-6(2)4-5-12-7-8-9-10-11(7)3/h4H,5H2,1-3H3
InChIKey XNLGIFWMYCLMGH-UHFFFAOYSA-N
Mol Weight 184.26 g/mol
Molecular Formula C7H12N4S
Exact Mass 184.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lwBt035AzB
Name 1-Methyl-5-((3-methylbut-2-en-1-yl)thio)-1H-tetrazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12N4S
InChI InChI=1S/C7H12N4S/c1-6(2)4-5-12-7-8-9-10-11(7)3/h4H,5H2,1-3H3
InChIKey XNLGIFWMYCLMGH-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901250
Molecular Weight 184.261 g/mol
Reported Formula C7H12N4S
SMILES C(Sc1nnn[n]1C)C=C(C)C
SPLASH splash10-014i-5900000000-1f0c8881efb925b8c9e5
Source of Spectrum ASC-362-SM33-3oa
Thin-Layer Chromatography Rf = 0.12 (cyclohexane/EtOAc, 8:1 (v/v), CAM)
Wiley ID 1838153