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2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate
SpectraBase Compound ID 2un77Lh6YMg
InChI InChI=1S/C14H19NOS/c1-9(17-8-15)13(16)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-7H2,1H3/t9?,10-,11+,12-,14-
InChIKey AFHOTHXGVBTAHP-BBSNMTADSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K20ZKXn612D
Name 2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate
CAS Registry Number 313231-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NOS
InChI InChI=1S/C14H19NOS/c1-9(17-8-15)13(16)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-7H2,1H3/t9?,10-,11+,12-,14-
InChIKey AFHOTHXGVBTAHP-BBSNMTADSA-N
Molecular Weight 249.372 g/mol
SMILES C12(C(=O)C(SC#N)C)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-7900000000-dc1dbf7ecdfb47781802
Source of Spectrum AD-0-2532-0
Synonyms Propan-1-one, 1-(1-adamantanyl)-2-thiocyanato- thiocyanic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester [1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] thiocyanate [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] thiocyanate
Wiley ID 1420945