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trans-3,4-Dihydro-2,2-dimethyl-7-nitro-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
SpectraBase Compound ID 5ejwgSHRil5
InChI InChI=1S/C16H22N2O4/c1-16(2)15(19)14(17-8-4-3-5-9-17)12-7-6-11(18(20)21)10-13(12)22-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey JDRQLIAOIHVYOA-LSDHHAIUSA-N
Mol Weight 306.36 g/mol
Molecular Formula C16H22N2O4
Exact Mass 306.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjdsWuF98UG
Name trans-3,4-Dihydro-2,2-dimethyl-7-nitro-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-16(2)15(19)14(17-8-4-3-5-9-17)12-7-6-11(18(20)21)10-13(12)22-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey JDRQLIAOIHVYOA-LSDHHAIUSA-N
Molecular Weight 306.362 g/mol
SMILES O[C@@]1([C@](c2ccc(cc2OC1(C)C)N(=O)=O)(N1CCCCC1)[H])[H]
SPLASH splash10-001r-7190000000-7fb7e6e805d69a9a6cad
Source of Spectrum O-20-442-37
Synonyms (3R,4S)-2,2-dimethyl-7-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-3-ol
Wiley ID 1307984