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2-(4-bromphenyl)-1,1(8aH)-azulendicarbonitril
SpectraBase Compound ID LikpUc6yXJm
InChI InChI=1S/C18H11BrN2/c19-15-8-6-13(7-9-15)17-10-14-4-2-1-3-5-16(14)18(17,11-20)12-21/h1-10,16H
InChIKey NCHOLRXLFYUFTQ-UHFFFAOYSA-N
Mol Weight 335.2 g/mol
Molecular Formula C18H11BrN2
Exact Mass 334.010561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtezIOyPtdX
Name 2-(4-bromphenyl)-1,1(8aH)-azulendicarbonitril
CAS Registry Number 102780-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11BrN2
InChI InChI=1S/C18H11BrN2/c19-15-8-6-13(7-9-15)17-10-14-4-2-1-3-5-16(14)18(17,11-20)12-21/h1-10,16H
InChIKey NCHOLRXLFYUFTQ-UHFFFAOYSA-N
Molecular Weight 335.204 g/mol
SMILES C1(C(=CC=2C1C=CC=CC2)c1ccc(cc1)Br)(C#N)C#N
SPLASH splash10-0a4r-0059000000-26acd46bb2d07c7fdb21
Source of Spectrum K-119-2641-6
Synonyms 2-(4-bromophenyl)-1,1(8aH)-azulenedicarbonitrile
Wiley ID 1330846