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6-Amino-4,4-diethylchroman-2-one
SpectraBase Compound ID 779212N7eL2
InChI InChI=1S/C13H17NO2/c1-3-13(4-2)8-12(15)16-11-6-5-9(14)7-10(11)13/h5-7H,3-4,8,14H2,1-2H3
InChIKey MUABHEQVTSGADT-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJZ0bPPEjSD
Name 6-Amino-4,4-diethylchroman-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-13(4-2)8-12(15)16-11-6-5-9(14)7-10(11)13/h5-7H,3-4,8,14H2,1-2H3
InChIKey MUABHEQVTSGADT-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c01887
Molecular Weight 219.284 g/mol
SMILES Nc1cc2c(cc1)OC(CC2(CC)CC)=O
SPLASH splash10-00kf-0920000000-9a1c0e0ec6ed6b57da1a
Source of Spectrum JOC-87-SM33-9c
Wiley ID 1884184