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(E)-(1-Oxo-1,3-dihydro-2H-inden-2-ylidene)methyl thiocyanate
SpectraBase Compound ID 9JZBiMCLYDe
InChI InChI=1S/C11H7NOS/c12-7-14-6-9-5-8-3-1-2-4-10(8)11(9)13/h1-4,6H,5H2/b9-6+
InChIKey XYZREORRJCCBGE-RMKNXTFCSA-N
Mol Weight 201.24 g/mol
Molecular Formula C11H7NOS
Exact Mass 201.024835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UklzPw1wnL
Name (E)-(1-Oxo-1,3-dihydro-2H-inden-2-ylidene)methyl thiocyanate
CAS Registry Number 63499-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7NOS
InChI InChI=1S/C11H7NOS/c12-7-14-6-9-5-8-3-1-2-4-10(8)11(9)13/h1-4,6H,5H2/b9-6+
InChIKey XYZREORRJCCBGE-RMKNXTFCSA-N
Molecular Weight 201.243 g/mol
SMILES C1(\C(Cc2ccccc12)=C\SC#N)=O
SPLASH splash10-0gb9-0930000000-1ce330dbb9e619241484
Source of Spectrum O-21-727-4
Synonyms 2-Thiocyanatomethylene-indanone thiocyanic acid [(E)-(3-oxo-1H-inden-2-ylidene)methyl] ester [(E)-(3-oxo-1H-inden-2-ylidene)methyl] thiocyanate [(E)-(1-oxoindan-2-ylidene)methyl] thiocyanate [(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl] thiocyanate
Wiley ID 1198736