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(5S*)-2-[3',5'-Dimethyl-2',3',4',5'-tetrahydro-1H-[1]benzazep-1'-yl]-ethanenitrile
SpectraBase Compound ID E4sc5e14wx2
InChI InChI=1S/C14H18N2/c1-11-9-12(2)13-5-3-4-6-14(13)16(10-11)8-7-15/h3-6,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1
InChIKey CPUNBZKILQUEEI-KIYNQFGBSA-N
Mol Weight 214.31 g/mol
Molecular Formula C14H18N2
Exact Mass 214.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JT3lR2Ppy6T
Name (5S*)-2-[3',5'-Dimethyl-2',3',4',5'-tetrahydro-1H-[1]benzazep-1'-yl]-ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2
InChI InChI=1S/C14H18N2/c1-11-9-12(2)13-5-3-4-6-14(13)16(10-11)8-7-15/h3-6,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1
InChIKey CPUNBZKILQUEEI-KIYNQFGBSA-N
Molecular Weight 214.312 g/mol
SMILES c12N(CC(C[C@@](c2cccc1)(C)[H])C)CC#N
SPLASH splash10-00di-0920000000-c26b5a74c23cf1040c36
Source of Spectrum U-1997-266-7
Wiley ID 769330