2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yliden)-2-[(3-pyridylmethyl)amino]acetonitrile

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Systematic / IUPAC Name: (1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)[(3-pyridinylmethyl)amino]acetonitrile

ID: Reference3830

Other Names: Acetonitrile, 2-(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)-2-[(3-pyridinylmethyl)amino]-

Formula: C17H11N3O2

Spectral Data

2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yliden)-2-[(3-pyridylmethyl)amino]acetonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 9:22:50 AM
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Identificators

InChI InChI=1S/C17H11N3O2/c18-8-14(20-10-11-4-3-7-19-9-11)15-16(21)12-5-1-2-6-13(12)17(15)22/h1-7,9,20H,10H2
InChI Key KYACXMGZWDQHOZ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=O)C(=C(C#N)NCC3=CN=CC=C3)C2=O
CAS
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Other Names Acetonitrile, 2-(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)-2-[(3-pyridinylmethyl)amino]-

In Other Databases

ChemSpider 2013761
PubChem 2731933