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2-Amino-4-benzylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 29rnMQT9819
InChI InChI=1S/C17H18N2O/c18-11-15-14(10-12-6-2-1-3-7-12)13-8-4-5-9-16(13)20-17(15)19/h1-3,6-7,10,13,16H,4-5,8-9,19H2
InChIKey GNQCRBNMWILKSV-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C17H18N2O
Exact Mass 266.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNlz5QPlocG
Name 2-Amino-4-benzylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
Appearance Yellow oil
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Formula C17H18N2O
InChI InChI=1S/C17H18N2O/c18-11-15-14(10-12-6-2-1-3-7-12)13-8-4-5-9-16(13)20-17(15)19/h1-3,6-7,10,13,16H,4-5,8-9,19H2
InChIKey GNQCRBNMWILKSV-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3570
Molecular Weight 266.344 g/mol
SMILES NC1=C(C(C2C(O1)CCCC2)=Cc1ccccc1)C#N
SPLASH splash10-004j-9100000000-038aa0a2185f6a1c299a
Source of Spectrum Y-56-1855-4h
Thin-Layer Chromatography Rf = 0.44 (hexane/EtOAc, 3:1)
Wiley ID 1859581