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1-(Cyclopropylmethyl)-1H-benzotriazole-4-carbonitrile
SpectraBase Compound ID IJoL26soC1J
InChI InChI=1S/C11H10N4/c12-6-9-2-1-3-10-11(9)13-14-15(10)7-8-4-5-8/h1-3,8H,4-5,7H2
InChIKey WNMOMZLVXXGCPQ-UHFFFAOYSA-N
Mol Weight 198.23 g/mol
Molecular Formula C11H10N4
Exact Mass 198.090546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdYZs5Ln3Ji
Name 1-(Cyclopropylmethyl)-1H-benzotriazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N4
InChI InChI=1S/C11H10N4/c12-6-9-2-1-3-10-11(9)13-14-15(10)7-8-4-5-8/h1-3,8H,4-5,7H2
InChIKey WNMOMZLVXXGCPQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 198.229 g/mol
SMILES c1cc(c2nn[n](CC3CC3)c2c1)C#N
SPLASH splash10-0a4i-1900000000-78004afb31a506001d06
Source of Spectrum AF-62-244-58
Wiley ID 1871950