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1-Adamantyl isothiocyanate
SpectraBase Compound ID EiFfrlzbYPv
InChI InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey YPKFLUARLJRPQM-BIBSGERRSA-N
Mol Weight 193.31 g/mol
Molecular Formula C11H15NS
Exact Mass 193.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCKs3kT5un2
Name 1-Isothiocyanatoadamantane
Appearance White solid
Carrier Gas (20 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.092520661 u
Formula C11H15NS
GC Column Agilent 19091s-433 HP-SMS (30 m x 0.250 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey YPKFLUARLJRPQM-BIBSGERRSA-N
Inlet Type Split (20:1)
Instrument Name Agilent Technologies 5975-7820A GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705240
Molecular Weight 193.308 g/mol
Quality 116
SMILES C12(C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])N=C=S
SPLASH splash10-000i-2900000000-7fdebc4cc7c08b591efd
Source of Spectrum QE-24-SM4-4-2 (DOI: 10.1002/chem.201705240)
Wiley ID 1900232