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Thiocyanic acid, (4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl ester
SpectraBase Compound ID FJmePgmZIoI
InChI InChI=1S/C12H15NOS/c1-11(2)9-4-5-12(11,3)10(14)8(9)6-15-7-13/h6,9H,4-5H2,1-3H3/b8-6+
InChIKey WNZYOFODLYYFHX-SOFGYWHQSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLjJyFiL0hc
Name Thiocyanic acid, (4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl ester
CAS Registry Number 63499-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c1-11(2)9-4-5-12(11,3)10(14)8(9)6-15-7-13/h6,9H,4-5H2,1-3H3/b8-6+
InChIKey WNZYOFODLYYFHX-SOFGYWHQSA-N
Molecular Weight 221.318 g/mol
SMILES C12(C(\C(=C\SC#N)C(C2(C)C)CC1)=O)C
SPLASH splash10-00dl-0950000000-eded4f6f1cc8b5601e1d
Source of Spectrum O-21-727-7
Synonyms (E)-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl thiocyanate 1,7,7-Trimethyl-3-thiocyanatomethylen-bicyclo[2,2,1]heptan-2-one
Wiley ID 1221217