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N-(adamantan-1-yl)benzenecarbothioamide
SpectraBase Compound ID D2BFVKyhESI
InChI InChI=1S/C17H21NS/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)/t12-,13+,14-,17-
InChIKey IXAXKSDOLZNHGQ-ZZNDEYBLSA-N
Mol Weight 271.42 g/mol
Molecular Formula C17H21NS
Exact Mass 271.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pJfmqEODX2
Name N-(adamantan-1-yl)benzenecarbothioamide
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.139470854 u
Formula C17H21NS
InChI InChI=1S/C17H21NS/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)/t12-,13+,14-,17-
InChIKey IXAXKSDOLZNHGQ-ZZNDEYBLSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504247
Molecular Weight 271.422 g/mol
Quality 63
Reported Formula C17H21NS
SMILES N(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(=S)C1=CC=CC=C1
SPLASH splash10-00di-0790000000-6041957bf55dee922d23
Source of Spectrum QE-21-SM25-24 (DOI: 10.1002/chem.201504247)
Wiley ID 1907532