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3-[2,4,4-tris(2-cyanoethyl)-5-methoxy-3-oxo-tetralin-2-yl]propanenitrile
SpectraBase Compound ID HOu38PQ2T5A
InChI InChI=1S/C23H24N4O2/c1-29-19-8-2-7-18-17-22(9-3-13-24,10-4-14-25)21(28)23(20(18)19,11-5-15-26)12-6-16-27/h2,7-8H,3-6,9-12,17H2,1H3
InChIKey DFGYGJUZVISPHI-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C23H24N4O2
Exact Mass 388.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TuIqGBtqQh
Name 3-[2,4,4-tris(2-cyanoethyl)-5-methoxy-3-oxo-tetralin-2-yl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4O2
InChI InChI=1S/C23H24N4O2/c1-29-19-8-2-7-18-17-22(9-3-13-24,10-4-14-25)21(28)23(20(18)19,11-5-15-26)12-6-16-27/h2,7-8H,3-6,9-12,17H2,1H3
InChIKey DFGYGJUZVISPHI-UHFFFAOYSA-N
Instrument Name VG-Trio-2 or Finnigan MAT 95SQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.b21
Molecular Weight 388.471 g/mol
SMILES c1c(c2c(cc1)CC(C(C2(CCC#N)CCC#N)=O)(CCC#N)CCC#N)OC
SPLASH splash10-000t-0249000000-b03e75661bb602b3e20d
Source of Spectrum ARK-2009-240-11
Thin-Layer Chromatography Rf = 0.3 (CH2Cl2/MeOH, 50:1)
Wiley ID 1869742