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2-(Benzotriazol-1-yl-methyl)-isoxazolidine-5-carbonitrile
SpectraBase Compound ID JPpWRgVvyGZ
InChI InChI=1S/C11H11N5O/c12-7-9-5-6-15(17-9)8-16-11-4-2-1-3-10(11)13-14-16/h1-4,9H,5-6,8H2
InChIKey FZMHDVNKSMRUTL-UHFFFAOYSA-N
Mol Weight 229.24 g/mol
Molecular Formula C11H11N5O
Exact Mass 229.09636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFu2lD4VWBF
Name 2-(1-benzotriazolylmethyl)-5-isoxazolidinecarbonitrile
Alternate Name(s) 2-(benzotriazol-1-ylmethyl)-1,2-oxazolidine-5-carbonitrile 2-(benzotriazol-1-ylmethyl)isoxazolidine-5-carbonitrile
CAS Registry Number 132287-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N5O
InChI InChI=1S/C11H11N5O/c12-7-9-5-6-15(17-9)8-16-11-4-2-1-3-10(11)13-14-16/h1-4,9H,5-6,8H2
InChIKey FZMHDVNKSMRUTL-UHFFFAOYSA-N
Molecular Weight 229.243 g/mol
SMILES c1ccc2c(c1)nn[n]2CN1CCC(C#N)O1
SPLASH splash10-0in9-4900000000-b2b154bf54ad8b39cd9e
Source of Spectrum KC-1990-2374-9
Wiley ID 1230612