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ATROPONITRILE
SpectraBase Compound ID 50ADmaWaNw7
InChI InChI=1S/C9H7N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1H2
InChIKey RLFXJQPKMZNLMP-UHFFFAOYSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IHOMVVr2fw
Name ATROPONITRILE
Source of Sample T. Funabiki, H. Hosomi, S. Yoshida J. Amer. Chem. Soc. 104, 1561(1982)
CAS Registry Number 495-10-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N
InChI InChI=1S/C9H7N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1H2
InChIKey RLFXJQPKMZNLMP-UHFFFAOYSA-N
Molecular Weight 129.16
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ACRYLONITRILE, 2-PHENYL-,