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6-Amino-4-ethyl-4-methylchroman-2-one
SpectraBase Compound ID 5F6w50YruIn
InChI InChI=1S/C12H15NO2/c1-3-12(2)7-11(14)15-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKey IXIHILYZAJZZPS-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fyv0ImWAPK2
Name 6-Amino-4-ethyl-4-methylchroman-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-3-12(2)7-11(14)15-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKey IXIHILYZAJZZPS-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c01887
Molecular Weight 205.257 g/mol
SMILES Nc1cc2c(cc1)OC(CC2(C)CC)=O
SPLASH splash10-0a6s-1930000000-592e84dc08c8e2b92bd4
Source of Spectrum JOC-87-SM19-9b
Wiley ID 1884183