For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Thiocyanic acid, 4,8-dioxotricyclo[3.3.1.1(3,7)]dec-2-yl ester
SpectraBase Compound ID 4rDMJOOQrdn
InChI InChI=1S/C11H11NO2S/c12-4-15-11-7-2-5-1-6(10(7)14)3-8(11)9(5)13/h5-8,11H,1-3H2/t5-,6-,7-,8-/m0/s1
InChIKey ZBOPKHADOJRCKH-XAMCCFCMSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8tccYgnW2EN
Name Thiocyanic acid, 4,8-dioxotricyclo[3.3.1.1(3,7)]dec-2-yl ester
CAS Registry Number 56781-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c12-4-15-11-7-2-5-1-6(10(7)14)3-8(11)9(5)13/h5-8,11H,1-3H2/t5-,6-,7-,8-/m0/s1
InChIKey ZBOPKHADOJRCKH-XAMCCFCMSA-N
Molecular Weight 221.274 g/mol
SMILES C1([C@]2(C[C@]3(C([C@@]1(C[C@@](C2=O)(C3)[H])[H])=O)[H])[H])SC#N
SPLASH splash10-08i0-9800000000-048de2a413f89a6e4970
Source of Spectrum EP-6358-0-0
Synonyms 4,8-Dioxo-2-adamantyl thiocyanate thiocyanic acid (4,8-diketo-2-adamantyl) ester thiocyanic acid (4,8-dioxo-2-adamantyl) ester (4,8-dioxo-2-adamantyl) thiocyanate
Wiley ID 1221114