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3-cyclohexyl-6-(methylthio)-1,2,4,5-tetrazine
SpectraBase Compound ID 81iGY7zR8oZ
InChI InChI=1S/C9H14N4S/c1-14-9-12-10-8(11-13-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey PHHDSDOAGRYOAL-UHFFFAOYSA-N
Mol Weight 210.3 g/mol
Molecular Formula C9H14N4S
Exact Mass 210.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19FeesUdnbS
Name 3-cyclohexyl-6-(methylthio)-1,2,4,5-tetrazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N4S
InChI InChI=1S/C9H14N4S/c1-14-9-12-10-8(11-13-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey PHHDSDOAGRYOAL-UHFFFAOYSA-N
Molecular Weight 210.299 g/mol
SMILES c1(nnc(nn1)C1CCCCC1)SC
SPLASH splash10-03k9-8090000000-fecbcd4cc7adf085b44d
Source of Spectrum J-59-8286-20
Synonyms 3-cyclohexyl-6-methylsulfanyl-1,2,4,5-tetrazine
Wiley ID 1208663