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trans-3,4-Dihydro-2,2-dimethyl-8-nitro-4-isopropylamino-2H-1-benzopyran-3-ol
SpectraBase Compound ID Gwzgb0FgVHI
InChI InChI=1S/C14H20N2O4/c1-8(2)15-11-9-6-5-7-10(16(18)19)12(9)20-14(3,4)13(11)17/h5-8,11,13,15,17H,1-4H3/t11-,13+/m0/s1
InChIKey BDTJQSSIYCWKIG-WCQYABFASA-N
Mol Weight 280.32 g/mol
Molecular Formula C14H20N2O4
Exact Mass 280.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KFsSRQZdMn
Name trans-3,4-Dihydro-2,2-dimethyl-8-nitro-4-isopropylamino-2H-1-benzopyran-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O4
InChI InChI=1S/C14H20N2O4/c1-8(2)15-11-9-6-5-7-10(16(18)19)12(9)20-14(3,4)13(11)17/h5-8,11,13,15,17H,1-4H3/t11-,13+/m0/s1
InChIKey BDTJQSSIYCWKIG-WCQYABFASA-N
Molecular Weight 280.324 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(NC(C)C)[H])cccc2N(=O)=O)(C)C)[H]
SPLASH splash10-0a4l-8980000000-22e10973a9e357329f1e
Source of Spectrum O-20-441-13
Synonyms (3R,4S)-4-(isopropylamino)-2,2-dimethyl-8-nitro-3,4-dihydro-2H-chromen-3-ol
Wiley ID 1283659