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3-(2-Methyl-1H-inden-1-yl)benzonitrile
SpectraBase Compound ID 2hx9DeSDDIS
InChI InChI=1S/C17H13N/c1-12-9-14-6-2-3-8-16(14)17(12)15-7-4-5-13(10-15)11-18/h2-10,17H,1H3
InChIKey VOLJRXUXHAXLJN-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C17H13N
Exact Mass 231.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1fUFNcDaX3
Name 3-(2-Methyl-1H-inden-1-yl)benzonitrile
Alternate Name(s) 3-(2-Methyl-1H-inden-1-yl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N
InChI InChI=1S/C17H13N/c1-12-9-14-6-2-3-8-16(14)17(12)15-7-4-5-13(10-15)11-18/h2-10,17H,1H3
InChIKey VOLJRXUXHAXLJN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo100275q
Molecular Weight 231.298 g/mol
SMILES c1cc2C=C(C)C(c3cccc(c3)C#N)c2cc1
SPLASH splash10-00lr-1190000000-3eecbf62466b6851bb33
Source of Spectrum J-75-4716/SMS72-9s
Wiley ID 1751580