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4H-1-Benzopyran-4-one, 2,3-dihydro-3-methyl-3-[(3-methylbutyl)amino]-2-phenyl-, cis-
SpectraBase Compound ID L6leSGSMqAF
InChI InChI=1S/C21H25NO2/c1-15(2)13-14-22-21(3)19(23)17-11-7-8-12-18(17)24-20(21)16-9-5-4-6-10-16/h4-12,15,20,22H,13-14H2,1-3H3/t20-,21-/m0/s1
InChIKey YUXOFQLEVCJYLQ-SFTDATJTSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CioviAfXUlO
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-3-methyl-3-[(3-methylbutyl)amino]-2-phenyl-, cis-
Alternate Name(s) (2S,3R)-3-(isopentylamino)-3-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one 2,3-Dihydro-c-3-isopentylamino-t-3-methyl-r-2-phenyl-4H-1-benzopyran-4-one
CAS Registry Number 116703-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-15(2)13-14-22-21(3)19(23)17-11-7-8-12-18(17)24-20(21)16-9-5-4-6-10-16/h4-12,15,20,22H,13-14H2,1-3H3/t20-,21-/m0/s1
InChIKey YUXOFQLEVCJYLQ-SFTDATJTSA-N
Molecular Weight 323.436 g/mol
SMILES N([C@]1(C(c2ccccc2O[C@]1(c1ccccc1)[H])=O)C)CCC(C)C
SPLASH splash10-0fxw-3932000000-ca0c9a451eba30ca3d0a
Source of Spectrum Y-25-346-10
Wiley ID 1322635