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2-(Phenylcarbonyl)adamantane-2-carbonitrile
SpectraBase Compound ID DTlR9l7dfx
InChI InChI=1S/C18H19NO/c19-11-18(17(20)14-4-2-1-3-5-14)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-10H2/t12-,13?,15-,16+,18+
InChIKey HCSKDLUOERFPBW-LSCQHUKGSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bBbhbFVWXO
Name 2-(Phenylcarbonyl)adamantane-2-carbonitrile
Alternate Name(s) 2-Benzoyl-2-adamantanecarbonitrile 2-Benzoyladamantane-2-carbonitrile
CAS Registry Number 128445-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO
InChI InChI=1S/C18H19NO/c19-11-18(17(20)14-4-2-1-3-5-14)15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-16H,6-10H2/t12-,13?,15-,16+,18+
InChIKey HCSKDLUOERFPBW-LSCQHUKGSA-N
Molecular Weight 265.356 g/mol
SMILES [C@]1([C@]2(CC3C[C@@]1(C[C@](C3)(C2)[H])[H])[H])(C(=O)c1ccccc1)C#N
SPLASH splash10-0a4i-0900000000-bc9164d7c59176fbd328
Source of Spectrum K-123-2343-3
Wiley ID 1269242