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3-Isoquinolinecarbonitrile, 2-benzylperhydro
SpectraBase Compound ID 2T2J3Ze0mLp
InChI InChI=1S/C17H22N2/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13H2
InChIKey BGYMNAWGELJZRM-UHFFFAOYSA-N
Mol Weight 254.38 g/mol
Molecular Formula C17H22N2
Exact Mass 254.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kzuTiepNop
Name 3-Isoquinolinecarbonitrile, 2-benzylperhydro
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2
InChI InChI=1S/C17H22N2/c18-11-17-10-15-8-4-5-9-16(15)13-19(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13H2
InChIKey BGYMNAWGELJZRM-UHFFFAOYSA-N
Molecular Weight 254.377 g/mol
SMILES C12C(CC(N(C2)Cc2ccccc2)C#N)CCCC1
SPLASH splash10-004l-9760000000-8d4c9e869acd0ea83085
Synonyms 2-(Phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonitrile 2-Benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonitrile 2-Benzyldecahydro-3-isoquinolinecarbonitrile
Wiley ID 1478603