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2-Amino-7,7-dimethyl-5-oxo-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 1Q0C2BcylCu
InChI InChI=1S/C18H17ClN2O2/c1-18(2)7-13(22)16-14(8-18)23-17(21)12(9-20)15(16)10-3-5-11(19)6-4-10/h3-6,15H,7-8,21H2,1-2H3
InChIKey WDYBCSVEZBEZHB-UHFFFAOYSA-N
Mol Weight 328.8 g/mol
Molecular Formula C18H17ClN2O2
Exact Mass 328.097855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSBSNsHOi9d
Name 2-Amino-7,7-dimethyl-5-oxo-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.097855493 u
Formula C18H17ClN2O2
InChI InChI=1S/C18H17ClN2O2/c1-18(2)7-13(22)16-14(8-18)23-17(21)12(9-20)15(16)10-3-5-11(19)6-4-10/h3-6,15H,7-8,21H2,1-2H3
InChIKey WDYBCSVEZBEZHB-UHFFFAOYSA-N
Instrument Name FISONS GC 8000 or FISONS TRIO 1000
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.4577
Molecular Weight 328.799 g/mol
Quality 1000
SMILES NC=1OC2=C(C(C1C#N)C1=CC=C(C=C1)Cl)C(CC(C2)(C)C)=O
SPLASH splash10-00mo-9630000000-b2909efbb4a7037e197e
Source of Spectrum Y-60-SM15-1d (DOI: 10.1002/jhet.4577)
Wiley ID 1892520