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Bicyclo[4.4.1]undecane, thiocyanic acid deriv.
SpectraBase Compound ID F98Y8ptm2JX
InChI InChI=1S/C12H9NS/c13-9-14-12-7-3-5-10-4-1-2-6-11(12)8-10/h1-7H,8H2
InChIKey MZGYOPPHXGGVJM-UHFFFAOYSA-N
Mol Weight 199.27 g/mol
Molecular Formula C12H9NS
Exact Mass 199.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkUWktMFtGG
Name Bicyclo[4.4.1]undecane, thiocyanic acid deriv.
CAS Registry Number 115163-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NS
InChI InChI=1S/C12H9NS/c13-9-14-12-7-3-5-10-4-1-2-6-11(12)8-10/h1-7H,8H2
InChIKey MZGYOPPHXGGVJM-UHFFFAOYSA-N
Molecular Weight 199.271 g/mol
SMILES C12=C(SC#N)C=CC=C(C2)C=CC=C1
SPLASH splash10-01bc-0900000000-5f134bdeb485d3166390
Source of Spectrum K-121-1701-2
Synonyms Thiocyanic acid, bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl ester bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl thiocyanate
Wiley ID 1196800