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(Z)-4-Benzylidene-N-(tert-butyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SpectraBase Compound ID DBIvrFLSTfM
InChI InChI=1S/C21H22N2O2/c1-21(2,3)23-20(25)18-16-12-8-7-11-15(16)17(19(24)22-18)13-14-9-5-4-6-10-14/h4-13,18H,1-3H3,(H,22,24)(H,23,25)/b17-13-
InChIKey CTCVETBPVTYATB-LGMDPLHJSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwLOXTDBvTj
Name (Z)-4-Benzylidene-N-(tert-butyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Appearance White foam
Carrier Gas (1.0 mLmin-1)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.168127954 u
Formula C21H22N2O2
GC Column HP-1 column
GC Oven Program Oven temp 170oC
InChI InChI=1S/C21H22N2O2/c1-21(2,3)23-20(25)18-16-12-8-7-11-15(16)17(19(24)22-18)13-14-9-5-4-6-10-14/h4-13,18H,1-3H3,(H,22,24)(H,23,25)/b17-13-
InChIKey CTCVETBPVTYATB-LGMDPLHJSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404209
Quality 183
Reported Formula C21H22N2O2
SMILES N1C(\C(C=2C=CC=CC2C1C(=O)NC(C)(C)C)=C\C1=CC=CC=C1)=O
SPLASH splash10-001r-0193000000-c53d7a5d75fea0917b88
Source of Spectrum QE-21-SM6-Z-15a (DOI: 10.1002/chem.201404209)
Thin-Layer Chromatography 0.30 (PE/AcOEt 1:1)
Wiley ID 1906486