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Thiocyanic acid, (2-oxocyclooctylidene)methyl ester
SpectraBase Compound ID HhYq2L0ZYqR
InChI InChI=1S/C10H13NOS/c11-8-13-7-9-5-3-1-2-4-6-10(9)12/h7H,1-6H2/b9-7+
InChIKey PUBVAPGCRRJVFG-VQHVLOKHSA-N
Mol Weight 195.28 g/mol
Molecular Formula C10H13NOS
Exact Mass 195.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ahy8YwDBEK1
Name Thiocyanic acid, (2-oxocyclooctylidene)methyl ester
CAS Registry Number 63499-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NOS
InChI InChI=1S/C10H13NOS/c11-8-13-7-9-5-3-1-2-4-6-10(9)12/h7H,1-6H2/b9-7+
InChIKey PUBVAPGCRRJVFG-VQHVLOKHSA-N
Molecular Weight 195.280 g/mol
SMILES C1(\C(CCCCCC1)=C\SC#N)=O
SPLASH splash10-052b-0900000000-35a8dcedfaff2493b5ab
Source of Spectrum O-21-727-2
Synonyms (E)-(2-oxocyclooctylidene)methyl thiocyanate 2-Thiocyanatomethylencyclooctan-1-one
Wiley ID 1191938