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2-Amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 40828fNnlet
InChI InChI=1S/C16H16N2O2S/c1-16(2)6-10(19)14-11(7-16)20-15(18)9(8-17)13(14)12-4-3-5-21-12/h3-5,13H,6-7,18H2,1-2H3
InChIKey DWRDVOZZROOHRX-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TJlwmcHE3m
Name 2-Amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.093248935 u
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-16(2)6-10(19)14-11(7-16)20-15(18)9(8-17)13(14)12-4-3-5-21-12/h3-5,13H,6-7,18H2,1-2H3
InChIKey DWRDVOZZROOHRX-UHFFFAOYSA-N
Instrument Name FISONS GC 8000 or FISONS TRIO 1000
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.4577
Quality 712
SMILES NC=1OC2=C(C(C1C#N)C1=CC=CS1)C(CC(C2)(C)C)=O
SPLASH splash10-002f-9000000000-e272cbfb8c8b7f86b854
Source of Spectrum Y-60-SM28-1o (DOI: 10.1002/jhet.4577)
Wiley ID 1892525