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Thiocyanic acid, (2-oxocyclododecylidene)methyl ester
SpectraBase Compound ID 4t8cWvHW9jC
InChI InChI=1S/C14H21NOS/c15-12-17-11-13-9-7-5-3-1-2-4-6-8-10-14(13)16/h11H,1-10H2/b13-11+
InChIKey HYCVJLBKUDVQEJ-ACCUITESSA-N
Mol Weight 251.39 g/mol
Molecular Formula C14H21NOS
Exact Mass 251.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jnbs6fADsOZ
Name Thiocyanic acid, (2-oxocyclododecylidene)methyl ester
CAS Registry Number 63499-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NOS
InChI InChI=1S/C14H21NOS/c15-12-17-11-13-9-7-5-3-1-2-4-6-8-10-14(13)16/h11H,1-10H2/b13-11+
InChIKey HYCVJLBKUDVQEJ-ACCUITESSA-N
Molecular Weight 251.388 g/mol
SMILES C1(\C(CCCCCCCCCC1)=C\SC#N)=O
SPLASH splash10-0006-0930000000-add641e076a482642014
Source of Spectrum O-21-727-3
Wiley ID 1254555