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Thiocyanic acid, 3,5,7-cycloheptatriene-1,3-diyl ester
SpectraBase Compound ID 37sG6ncWQMt
InChI InChI=1S/C9H6N2S2/c10-6-12-8-3-1-2-4-9(5-8)13-7-11/h1-4H,5H2
InChIKey NPFLJCARLJIODB-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C9H6N2S2
Exact Mass 205.997241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Uue5mEQYAW
Name Thiocyanic acid, 3,5,7-cycloheptatriene-1,3-diyl ester
Alternate Name(s) 1,3-Dicyanothio-cycloheptan-3,5,7-triene 6-(cyanosulfanyl)-1,3,5-cycloheptatrien-1-yl thiocyanate
CAS Registry Number 78638-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2S2
InChI InChI=1S/C9H6N2S2/c10-6-12-8-3-1-2-4-9(5-8)13-7-11/h1-4H,5H2
InChIKey NPFLJCARLJIODB-UHFFFAOYSA-N
Molecular Weight 206.281 g/mol
SMILES C(#N)SC=1CC(SC#N)=CC=CC1
SPLASH splash10-05fr-0940000000-b333672da02b32b6dca6
Source of Spectrum J-50-183-4
Wiley ID 1203912