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1-Adamantyl isocyanate
SpectraBase Compound ID AeMQ7NENFv5
InChI InChI=1S/C11H15NO/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 VBHCPGFCIQDXGZ-BIBSGERRSA-N
Mol Weight 177.25 g/mol
Molecular Formula C11H15NO
Exact Mass 177.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dotu2EQHe6K
Name 1-Adamantylisocyanate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.115364106 u
Formula C11H15NO
InChI InChI=1S/C11H15NO/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 VBHCPGFCIQDXGZ-BIBSGERRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.247 g/mol
Nominal Mass 177 u
Quality 997
Retention Index 1428
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])N=C=O
SPLASH splash10-00fr-4900000000-19def9c4c1da005eb08f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Isocyanatotricyclo[3.3.1.1^(3,7)]decane
Technique GC/MS
Wiley ID DD2024_021055