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2-(1-adamantyl)-4-nitrobenzonitrile
SpectraBase Compound ID 67USybi74ra
InChI InChI=1S/C17H18N2O2/c18-10-14-1-2-15(19(20)21)6-16(14)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13H,3-5,7-9H2
InChIKey JBDCTTSGTSCSQS-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C17H18N2O2
Exact Mass 282.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ha5yoOrk8i
Name 2-(1-adamantyl)-4-nitrobenzonitrile
CAS Registry Number 71466-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O2
InChI InChI=1S/C17H18N2O2/c18-10-14-1-2-15(19(20)21)6-16(14)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13H,3-5,7-9H2
InChIKey JBDCTTSGTSCSQS-UHFFFAOYSA-N
Molecular Weight 282.343 g/mol
SMILES C12(c3cc(N(=O)=O)ccc3C#N)CC3CC(C1)CC(C2)C3
SPLASH splash10-0036-9380000000-f98a764832dc5c88f4d6
Source of Spectrum KC-1979-472-0
Synonyms 2-(1-adamantyl)-4-nitro-benzenecarbonitrile
Wiley ID 1286098