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1-Adamantylmethyl thiocyanate
SpectraBase Compound ID Jxs5Mdksqai
InChI InChI=1S/C12H17NS/c13-8-14-7-12-4-9-1-10(5-12)3-11(2-9)6-12/h9-11H,1-7H2/t9-,10+,11-,12-
InChIKey NLEDYBLPYRKRNY-CDECOKDKSA-N
Mol Weight 207.33 g/mol
Molecular Formula C12H17NS
Exact Mass 207.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0yjfnxYgHo
Name 1-Adamantylmethyl thiocyanate
Alternate Name(s) Adamantane, 1-thiocyanatomethyl- thiocyanic acid 1-adamantylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NS
InChI InChI=1S/C12H17NS/c13-8-14-7-12-4-9-1-10(5-12)3-11(2-9)6-12/h9-11H,1-7H2/t9-,10+,11-,12-
InChIKey NLEDYBLPYRKRNY-CDECOKDKSA-N
Molecular Weight 207.335 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CSC#N
SPLASH splash10-000i-9600000000-3518f757fa36402bc314
Source of Spectrum AD-0-2532-0
Wiley ID 1436066