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5-isopropylbenzene-1,3-dicarbonitrile
SpectraBase Compound ID J0IxmFxo2Eu
InChI InChI=1S/C11H10N2/c1-8(2)11-4-9(6-12)3-10(5-11)7-13/h3-5,8H,1-2H3
InChIKey SHKIKKGTMQPDDL-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C11H10N2
Exact Mass 170.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8jMoLNxqRV
Name 5-isopropylbenzene-1,3-dicarbonitrile
Alternate Name(s) 5-Isopropylisophthalonitrile 5-Propan-2-ylbenzene-1,3-dicarbonitrile
CAS Registry Number 127921-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2
InChI InChI=1S/C11H10N2/c1-8(2)11-4-9(6-12)3-10(5-11)7-13/h3-5,8H,1-2H3
InChIKey SHKIKKGTMQPDDL-UHFFFAOYSA-N
Molecular Weight 170.215 g/mol
SMILES C(#N)c1cc(C(C)C)cc(C#N)c1
SPLASH splash10-0a4i-0900000000-f245ab9222c2c9299e2e
Source of Spectrum KC-1990-191-6
Wiley ID 1167393